#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 0.76 0.23 0.00 1.02 -1.26 -4.94 119.74 115.54 1hg3 s LYS 3 Ca 0.00 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.27 1hg3 s LYS 3 Cb 0.00 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.58 1hg3 s LYS 3 CO 0.00 -0.23 0.41 -0.51 -0.92 0.00 0.00 175.35 174.10 1hg3 s LEU 4 N -2.35 4.21 -0.54 3.17 1.43 -1.26 -5.01 118.68 118.34 1hg3 s LEU 4 Ca -0.02 0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.16 1hg3 s LEU 4 Cb 0.01 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 1hg3 s LEU 4 CO -0.06 -0.08 1.88 -0.75 0.23 0.00 0.00 176.35 177.57 1hg3 s LYS 5 N -3.59 2.76 0.00 1.70 2.20 -1.26 -4.89 119.74 116.66 1hg3 s LYS 5 Ca 0.38 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1hg3 s LYS 5 Cb -0.10 -4.35 0.00 0.00 -1.51 0.00 0.00 37.83 31.86 1hg3 s LYS 5 CO 0.30 -2.56 0.00 0.39 -0.36 0.00 0.00 175.35 173.12 1hg3 n GLU 6 N 8.98 0.00 -1.54 4.03 -0.58 -1.26 -4.33 120.64 125.94 1hg3 n GLU 6 Ca 0.22 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.54 1hg3 n GLU 6 Cb 0.51 0.00 -0.05 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 -0.07 1.34 -4.90 3.49 -0.02 -1.24 -4.48 135.00 129.12 1hg3 n PRO 7 Ca 0.00 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 1hg3 n PRO 7 Cb 0.00 -3.05 -0.14 0.00 -0.02 0.00 0.00 33.50 30.29 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 9.56 2.96 -0.30 4.25 1.01 -0.29 -3.53 121.20 134.85 1hg3 s ILE 8 Ca 1.04 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.97 1hg3 s ILE 8 Cb -0.44 -2.17 0.09 0.00 0.01 0.00 0.00 42.46 39.94 1hg3 s ILE 8 CO 0.36 0.57 0.01 -0.63 0.00 0.00 0.00 174.94 175.25 1hg3 s ILE 9 N -0.40 1.86 -0.32 2.92 -1.09 -0.69 0.99 121.20 124.47 1hg3 s ILE 9 Ca 0.04 -1.84 -0.08 0.00 -2.23 0.00 0.00 60.65 56.54 1hg3 s ILE 9 Cb -0.12 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.50 1hg3 s ILE 9 CO 0.02 -0.43 0.13 0.00 -1.23 0.00 0.00 174.94 173.43 1hg3 s ALA 10 N 1.16 3.17 -0.32 9.38 0.00 0.42 0.22 121.76 135.79 1hg3 s ALA 10 Ca 0.04 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.34 1hg3 s ALA 10 Cb -0.19 -2.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1hg3 s ALA 10 CO -0.10 -1.02 0.44 0.42 0.00 0.00 0.00 175.76 175.49 1hg3 s ILE 11 N 1.54 5.10 -0.52 0.00 1.01 0.19 -1.66 121.20 126.87 1hg3 s ILE 11 Ca 0.03 0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.87 1hg3 s ILE 11 Cb -0.18 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.51 1hg3 s ILE 11 CO 0.04 -0.05 0.70 0.21 0.00 0.00 0.00 174.94 175.85 1hg3 s ASN 12 N 1.70 6.25 0.44 3.58 2.47 0.15 -1.16 114.94 128.37 1hg3 s ASN 12 Ca 0.16 -0.77 0.31 0.00 0.42 0.00 0.00 52.86 52.98 1hg3 s ASN 12 Cb -0.16 -2.33 1.49 0.00 -1.45 0.00 0.00 41.25 38.80 1hg3 s ASN 12 CO 0.11 -0.98 1.93 -0.26 -3.72 0.00 0.00 177.10 174.18 1hg3 h PHE 13 N 9.07 0.00 0.00 0.43 -1.00 -1.71 -3.39 116.94 120.34 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 0.79 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 179.12 1hg3 n LYS 14 N -2.65 0.00 -0.61 1.51 5.02 -1.26 -2.86 118.16 117.31 1hg3 n LYS 14 Ca -0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.31 1hg3 n LYS 14 Cb 0.15 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.21 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 0.49 -2.02 -0.18 5.66 -1.26 -4.46 114.28 112.52 1hg3 n THR 15 Ca 0.00 -0.81 -0.41 0.00 -3.05 0.00 0.00 64.05 59.78 1hg3 n THR 15 Cb 0.00 0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 69.17 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 -0.74 2.94 0.48 1.09 2.02 -1.13 -4.92 117.35 117.09 1hg3 s TYR 16 Ca 0.15 1.24 0.18 0.00 -0.37 0.00 0.00 57.07 58.26 1hg3 s TYR 16 Cb 0.15 -3.80 1.21 0.00 -0.40 0.00 0.00 41.96 39.12 1hg3 s TYR 16 CO -0.03 -2.36 2.07 0.97 -1.57 0.00 0.00 175.55 174.63 1hg3 h ILE 17 N 3.18 0.98 0.00 2.71 6.09 -1.96 0.40 117.51 128.90 1hg3 h ILE 17 Ca -0.48 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 62.63 1hg3 h ILE 17 Cb 1.23 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.73 1hg3 h ILE 17 CO 0.69 0.11 0.00 -0.33 -3.07 0.00 0.00 178.15 175.55 1hg3 h GLU 18 N 0.00 0.00 -1.13 2.19 3.07 -1.91 -3.01 114.58 113.79 1hg3 h GLU 18 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 1hg3 h GLU 18 Cb 0.20 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 27.69 1hg3 h GLU 18 CO 0.01 0.00 -0.79 0.00 -1.40 0.00 0.00 179.01 176.83 1hg3 n ALA 19 N -2.04 4.94 -2.40 3.43 0.00 0.11 -4.04 120.51 120.50 1hg3 n ALA 19 Ca 0.01 -4.01 -0.30 0.00 0.00 0.00 0.00 53.44 49.15 1hg3 n ALA 19 Cb 0.32 -0.46 -0.13 0.00 0.00 0.00 0.00 19.45 19.17 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 -5.00 2.40 0.00 0.00 2.01 -1.08 -4.48 115.64 109.48 1hg3 s THR 20 Ca 0.48 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1hg3 s THR 20 Cb 0.40 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.89 1hg3 s THR 20 CO -0.07 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1hg3 n GLY 21 N 1.29 1.70 0.34 4.40 0.00 -1.26 -0.72 105.19 110.94 1hg3 n GLY 21 Ca -0.17 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 1.02 0.00 1.61 1.57 -1.97 0.18 116.57 118.98 1hg3 h LYS 22 Ca 0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1hg3 h LYS 22 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1hg3 h LYS 22 CO 0.00 0.67 -0.36 0.00 -0.57 0.00 0.00 179.45 179.19 1hg3 h ARG 23 N 1.05 0.00 -0.32 3.15 3.08 -1.48 -0.09 114.38 119.78 1hg3 h ARG 23 Ca 0.40 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.31 1hg3 h ARG 23 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1hg3 h ARG 23 CO -0.18 0.36 -0.33 0.00 -1.07 0.00 0.00 179.97 178.76 1hg3 h ALA 24 N 1.64 0.47 -0.74 0.04 0.00 0.13 -2.44 119.26 118.36 1hg3 h ALA 24 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1hg3 h ALA 24 Cb 0.68 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1hg3 h ALA 24 CO 0.05 0.52 0.42 1.25 0.00 0.00 0.00 179.25 181.49 1hg3 h LEU 25 N 0.55 0.90 -0.11 0.00 5.85 0.14 -1.57 115.31 121.08 1hg3 h LEU 25 Ca 0.05 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1hg3 h LEU 25 Cb 0.91 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1hg3 h LEU 25 CO 0.08 0.71 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.55 1hg3 h GLU 26 N 1.02 0.02 -0.64 1.25 5.08 -0.71 -0.88 114.58 119.72 1hg3 h GLU 26 Ca 0.26 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1hg3 h GLU 26 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1hg3 h GLU 26 CO -0.05 0.01 0.12 0.82 -1.00 0.00 0.00 179.01 178.92 1hg3 h ILE 27 N 0.02 1.25 -0.77 3.13 2.04 -1.00 -1.22 117.51 120.95 1hg3 h ILE 27 Ca 0.05 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 1hg3 h ILE 27 Cb 0.07 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1hg3 h ILE 27 CO -0.10 0.37 0.32 0.00 0.00 0.00 0.00 178.15 178.74 1hg3 h ALA 28 N 1.15 1.11 -0.18 1.87 0.00 -1.01 0.14 119.26 122.35 1hg3 h ALA 28 Ca 0.20 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1hg3 h ALA 28 Cb 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1hg3 h ALA 28 CO 0.01 0.64 -0.41 0.87 0.00 0.00 0.00 179.25 180.36 1hg3 h LYS 29 N 1.12 0.41 -0.44 0.00 1.57 -0.78 0.71 116.57 119.16 1hg3 h LYS 29 Ca 0.26 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1hg3 h LYS 29 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1hg3 h LYS 29 CO -0.02 0.75 0.14 0.00 -0.57 0.00 0.00 179.45 179.74 1hg3 h ALA 30 N 1.23 0.58 -0.51 3.86 0.00 -0.51 -0.21 119.26 123.69 1hg3 h ALA 30 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1hg3 h ALA 30 Cb 0.86 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1hg3 h ALA 30 CO 0.07 0.22 0.22 0.00 0.00 0.00 0.00 179.25 179.77 1hg3 h ALA 31 N 0.99 0.66 -0.69 0.00 0.00 -0.37 -2.03 119.26 117.82 1hg3 h ALA 31 Ca 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1hg3 h ALA 31 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1hg3 h ALA 31 CO -0.00 0.25 0.24 1.49 0.00 0.00 0.00 179.25 181.22 1hg3 h GLU 32 N 0.68 1.04 0.62 0.00 4.81 -0.64 -1.66 114.58 119.43 1hg3 h GLU 32 Ca 0.17 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1hg3 h GLU 32 Cb 0.16 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1hg3 h GLU 32 CO -0.02 0.87 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.58 1hg3 h LYS 33 N 1.01 -0.85 -0.62 1.92 3.64 -0.66 0.23 116.57 121.24 1hg3 h LYS 33 Ca 0.23 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.81 1hg3 h LYS 33 Cb 0.25 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1hg3 h LYS 33 CO -0.01 -0.57 0.43 0.28 -2.27 0.00 0.00 179.45 177.31 1hg3 h VAL 34 N -0.88 0.79 -0.16 2.00 2.07 -1.22 -1.14 116.25 117.71 1hg3 h VAL 34 Ca -0.08 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1hg3 h VAL 34 Cb 0.70 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1hg3 h VAL 34 CO 0.11 0.04 -0.11 0.22 0.02 0.00 0.00 177.57 177.85 1hg3 h TYR 35 N 0.22 0.42 -0.57 1.57 3.20 -0.51 -2.84 116.97 118.46 1hg3 h TYR 35 Ca 0.30 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1hg3 h TYR 35 Cb 0.87 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 1hg3 h TYR 35 CO -0.00 0.71 0.37 0.87 -1.64 0.00 0.00 178.16 178.47 1hg3 h LYS 36 N 0.02 0.75 -0.88 1.82 1.57 0.25 0.39 116.57 120.48 1hg3 h LYS 36 Ca 0.03 -0.05 -0.47 0.00 -1.87 0.00 0.00 60.65 58.29 1hg3 h LYS 36 Cb 0.61 -0.17 -0.27 0.00 0.08 0.00 0.00 32.23 32.48 1hg3 h LYS 36 CO 0.03 0.50 0.53 -0.85 -0.57 0.00 0.00 179.45 179.08 1hg3 n GLU 37 N -4.45 2.21 0.00 3.15 0.28 -0.84 -4.55 120.64 116.45 1hg3 n GLU 37 Ca 0.05 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 53.98 1hg3 n GLU 37 Cb 0.05 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 30.79 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 -1.13 0.00 0.00 3.84 -1.04 -0.99 -5.01 114.28 109.95 1hg3 n THR 38 Ca 0.55 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 1hg3 n THR 38 Cb 1.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 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 -0.39 1.79 3.73 3.41 0.00 0.09 -5.03 105.19 108.80 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 -2.44 3.82 0.05 1.61 1.01 -1.26 -4.96 120.40 118.22 1hg3 s VAL 40 Ca 0.00 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1hg3 s VAL 40 Cb 0.00 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 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 0.08 3.00 -0.30 3.92 2.01 -1.23 -4.66 115.64 118.47 1hg3 s THR 41 Ca 0.52 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1hg3 s THR 41 Cb -0.30 -3.19 0.08 0.00 0.01 0.00 0.00 72.50 69.10 1hg3 s THR 41 CO 0.34 -0.01 0.02 -0.63 -0.69 0.00 0.00 174.62 173.65 1hg3 s ILE 42 N 3.36 1.76 0.02 1.82 -1.09 -1.26 -1.71 121.20 124.11 1hg3 s ILE 42 Ca 0.79 -1.76 -0.17 0.00 -2.23 0.00 0.00 60.65 57.28 1hg3 s ILE 42 Cb -0.41 -2.18 -0.06 0.00 -1.58 0.00 0.00 42.46 38.23 1hg3 s ILE 42 CO 0.35 -0.42 0.49 -0.69 -1.23 0.00 0.00 174.94 173.44 1hg3 s VAL 43 N 1.21 4.92 -0.07 2.92 1.01 0.13 -4.22 120.40 126.31 1hg3 s VAL 43 Ca 0.04 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.11 1hg3 s VAL 43 Cb -0.19 -3.81 -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 0.00 175.10 174.59 1hg3 s VAL 44 N -0.88 2.10 -0.50 2.92 1.01 -0.74 0.56 120.40 124.86 1hg3 s VAL 44 Ca 0.26 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1hg3 s VAL 44 Cb -0.18 -1.77 0.13 0.00 0.00 0.00 0.00 36.38 34.57 1hg3 s VAL 44 CO 0.16 0.57 0.25 0.00 0.00 0.00 0.00 175.10 176.08 1hg3 s ALA 45 N -0.07 3.13 0.73 5.51 0.00 -0.31 0.24 121.76 130.99 1hg3 s ALA 45 Ca -0.06 -3.16 -0.12 0.00 0.00 0.00 0.00 51.96 48.62 1hg3 s ALA 45 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.89 1hg3 s ALA 45 CO 0.05 -2.02 1.10 -2.14 0.00 0.00 0.00 175.76 172.75 1hg3 s PRO 46 N -0.17 2.64 0.37 0.00 0.02 -1.22 -2.05 135.00 134.59 1hg3 s PRO 46 Ca 0.17 0.46 -0.28 0.00 0.02 0.00 0.00 61.00 61.37 1hg3 s PRO 46 Cb -0.26 -2.00 -0.10 0.00 0.02 0.00 0.00 34.50 32.17 1hg3 s PRO 46 CO -0.00 -1.19 1.38 -0.65 -0.33 0.00 0.00 177.00 176.21 1hg3 s GLN 47 N -5.34 4.15 0.29 5.54 -0.21 -1.26 -4.27 119.66 118.55 1hg3 s GLN 47 Ca 0.59 2.35 0.04 0.00 0.02 0.00 0.00 55.36 58.35 1hg3 s GLN 47 Cb -0.12 -2.95 0.73 0.00 1.00 0.00 0.00 33.01 31.68 1hg3 s GLN 47 CO 0.52 -0.41 1.68 1.25 -2.12 0.00 0.00 175.29 176.20 1hg3 h LEU 48 N 3.04 0.23 -0.47 2.90 5.85 -1.95 0.39 115.31 125.30 1hg3 h LEU 48 Ca -0.50 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1hg3 h LEU 48 Cb 1.24 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1hg3 h LEU 48 CO 0.64 -0.06 0.00 0.55 -0.34 0.00 0.00 178.44 179.23 1hg3 n VAL 49 N -5.10 1.53 0.18 1.05 3.14 -1.26 -1.90 118.33 115.96 1hg3 n VAL 49 Ca 0.22 0.53 0.02 0.00 -2.96 0.00 0.00 64.34 62.15 1hg3 n VAL 49 Cb 0.67 -1.49 -0.01 0.00 -1.06 0.00 0.00 33.84 31.95 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 -1.77 0.51 -0.10 6.55 8.00 0.13 -4.83 116.55 125.03 1hg3 n ASP 50 Ca 0.00 -0.75 -0.06 0.00 0.71 0.00 0.00 54.79 54.69 1hg3 n ASP 50 Cb 0.04 0.73 0.01 0.00 -0.02 0.00 0.00 41.12 41.88 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 0.23 -0.57 0.11 0.64 6.46 -0.64 -2.07 115.31 119.48 1hg3 h LEU 51 Ca 0.00 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1hg3 h LEU 51 Cb 0.12 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1hg3 h LEU 51 CO 0.00 -0.20 -0.10 -0.09 -0.62 0.00 0.00 178.44 177.43 1hg3 h ARG 52 N -0.10 -0.21 -0.55 1.25 2.43 -1.79 0.14 114.38 115.55 1hg3 h ARG 52 Ca 0.18 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1hg3 h ARG 52 Cb 0.38 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.90 1hg3 h ARG 52 CO -0.43 -0.14 0.07 1.98 -1.51 0.00 0.00 179.97 179.93 1hg3 h MET 53 N -0.22 0.19 -0.35 0.20 4.05 -1.84 0.96 114.93 117.91 1hg3 h MET 53 Ca -0.00 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1hg3 h MET 53 Cb 0.20 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1hg3 h MET 53 CO -0.01 0.12 0.06 0.82 0.23 0.00 0.00 176.91 178.13 1hg3 h ILE 54 N 0.19 1.24 -0.08 1.77 2.04 -1.09 -2.89 117.51 118.68 1hg3 h ILE 54 Ca 0.28 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1hg3 h ILE 54 Cb 0.42 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1hg3 h ILE 54 CO -0.40 0.28 -0.14 0.00 0.00 0.00 0.00 178.15 177.89 1hg3 h ALA 55 N 0.90 1.63 0.00 1.87 0.00 -0.08 -2.58 119.26 121.00 1hg3 h ALA 55 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hg3 h ALA 55 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hg3 h ALA 55 CO 0.01 0.28 -0.01 0.39 0.00 0.00 0.00 179.25 179.92 1hg3 n GLU 56 N -4.31 0.14 -0.12 0.00 1.02 0.27 -3.90 120.64 113.74 1hg3 n GLU 56 Ca -0.02 0.11 0.06 0.00 -0.02 0.00 0.00 57.16 57.30 1hg3 n GLU 56 Cb 0.24 -1.66 0.09 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.90 1.82 -3.77 1.62 3.41 -0.99 -5.03 113.62 108.78 1hg3 n SER 57 Ca 0.06 -2.62 -0.13 0.00 -0.26 0.00 0.00 58.87 55.92 1hg3 n SER 57 Cb 0.39 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.96 0.02 0.08 -3.33 1.01 -1.07 -4.96 120.40 110.19 1hg3 s VAL 58 Ca 0.20 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1hg3 s VAL 58 Cb 0.17 -0.48 -0.24 0.00 0.00 0.00 0.00 36.38 35.82 1hg3 s VAL 58 CO 0.02 -0.09 1.14 -0.33 0.00 0.00 0.00 175.10 175.84 1hg3 h GLU 59 N 5.12 0.12 -7.26 2.72 5.08 -1.90 -3.45 114.58 115.01 1hg3 h GLU 59 Ca -0.27 -0.20 -0.52 0.00 -1.00 0.00 0.00 59.36 57.36 1hg3 h GLU 59 Cb 1.19 0.08 0.18 0.00 0.50 0.00 0.00 28.75 30.70 1hg3 h GLU 59 CO 0.34 1.05 0.27 0.96 -1.00 0.00 0.00 179.01 180.63 1hg3 s ILE 60 N -2.67 2.20 0.26 3.13 -4.36 -1.26 -4.93 121.20 113.57 1hg3 s ILE 60 Ca -0.02 0.07 -0.31 0.00 -0.26 0.00 0.00 60.65 60.13 1hg3 s ILE 60 Cb 0.08 -2.25 -0.11 0.00 1.25 0.00 0.00 42.46 41.43 1hg3 s ILE 60 CO 0.85 -0.08 1.61 -2.84 0.24 0.00 0.00 174.94 174.72 1hg3 s PRO 61 N -4.52 4.14 -0.23 0.37 0.02 -1.26 -4.93 135.00 128.59 1hg3 s PRO 61 Ca 0.68 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 64.24 1hg3 s PRO 61 Cb -0.24 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.25 1hg3 s PRO 61 CO 0.55 -0.64 -0.10 0.08 -0.33 0.00 0.00 177.00 176.56 1hg3 s VAL 62 N 0.38 2.65 0.01 3.83 1.01 -1.26 -1.80 120.40 125.22 1hg3 s VAL 62 Ca 0.66 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1hg3 s VAL 62 Cb -0.48 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1hg3 s VAL 62 CO 0.42 0.29 0.13 -0.36 0.00 0.00 0.00 175.10 175.58 1hg3 s PHE 63 N 1.31 3.38 0.68 5.22 0.40 0.14 -1.07 117.98 128.04 1hg3 s PHE 63 Ca 0.01 0.24 -0.10 0.00 -0.60 0.00 0.00 56.93 56.48 1hg3 s PHE 63 Cb -0.16 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.64 1hg3 s PHE 63 CO -0.07 0.58 1.05 0.00 0.70 0.00 0.00 175.22 177.49 1hg3 s ALA 64 N -1.30 2.99 -0.73 5.36 0.00 -0.26 -3.37 121.76 124.45 1hg3 s ALA 64 Ca 0.27 -0.48 0.24 0.00 0.00 0.00 0.00 51.96 51.99 1hg3 s ALA 64 Cb -0.12 -2.90 0.26 0.00 0.00 0.00 0.00 23.12 20.36 1hg3 s ALA 64 CO 0.18 -1.09 1.22 1.04 0.00 0.00 0.00 175.76 177.11 1hg3 n GLN 65 N -2.92 0.21 -3.64 0.00 6.02 -1.26 -1.09 117.38 114.70 1hg3 n GLN 65 Ca 0.06 0.03 -0.02 0.00 -0.01 0.00 0.00 57.00 57.06 1hg3 n GLN 65 Cb 0.58 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 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 -3.13 -0.04 0.01 1.08 5.04 -1.21 -4.28 115.29 112.76 1hg3 s HIS 66 Ca 0.07 0.06 -0.07 0.00 -1.54 0.00 0.00 55.06 53.58 1hg3 s HIS 66 Cb 0.15 0.50 -0.00 0.00 0.04 0.00 0.00 32.58 33.26 1hg3 s HIS 66 CO 0.75 -0.04 0.12 0.96 -2.34 0.00 0.00 174.74 174.19 1hg3 s ILE 67 N -1.31 0.10 0.20 0.89 -4.36 -1.26 -4.94 121.20 110.52 1hg3 s ILE 67 Ca 0.09 -0.81 0.02 0.00 -0.26 0.00 0.00 60.65 59.70 1hg3 s ILE 67 Cb -0.01 -0.56 -0.04 0.00 1.25 0.00 0.00 42.46 43.10 1hg3 s ILE 67 CO -0.06 -0.44 0.35 -1.81 0.24 0.00 0.00 174.94 173.21 1hg3 s ASP 68 N -1.61 6.34 0.00 4.36 1.01 -0.93 -4.96 116.67 120.89 1hg3 s ASP 68 Ca -0.12 0.22 -0.04 0.00 0.71 0.00 0.00 52.55 53.33 1hg3 s ASP 68 Cb -0.06 -1.93 -0.17 0.00 1.01 0.00 0.00 42.92 41.77 1hg3 s ASP 68 CO -0.00 -0.03 2.83 -2.65 0.21 0.00 0.00 175.17 175.53 1hg3 n PRO 69 N -0.90 1.51 -4.22 8.23 -0.02 -1.26 -4.54 135.00 133.80 1hg3 n PRO 69 Ca -0.07 -0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 60.54 1hg3 n PRO 69 Cb 0.55 -1.71 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 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 1.01 3.86 0.27 4.25 -4.36 -1.26 -4.90 121.20 120.07 1hg3 s ILE 70 Ca 0.43 -1.70 0.08 0.00 -0.26 0.00 0.00 60.65 59.20 1hg3 s ILE 70 Cb 0.21 -3.07 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 1hg3 s ILE 70 CO 0.00 -0.36 0.17 -0.54 0.24 0.00 0.00 174.94 174.45 1hg3 s LYS 71 N -3.72 2.73 0.28 0.37 -0.14 -1.26 -4.53 119.74 113.47 1hg3 s LYS 71 Ca 0.32 -1.20 -0.30 0.00 -1.36 0.00 0.00 55.97 53.44 1hg3 s LYS 71 Cb -0.07 -2.45 -0.13 0.00 -1.68 0.00 0.00 37.83 33.50 1hg3 s LYS 71 CO 0.22 0.32 1.29 -2.30 -0.76 0.00 0.00 175.35 174.12 1hg3 n PRO 72 N -1.16 1.92 0.00 -1.68 -0.02 -1.26 -4.77 135.00 128.03 1hg3 n PRO 72 Ca -0.06 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1hg3 n PRO 72 Cb 0.59 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.49 -0.35 3.41 -1.23 0.00 -1.26 -5.05 105.19 102.20 1hg3 n GLY 73 Ca 0.09 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 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 6.91 -0.39 1.61 0.01 -1.26 -4.84 113.70 111.74 1hg3 s SER 74 Ca 0.00 -2.73 0.09 0.00 1.31 0.00 0.00 55.95 54.62 1hg3 s SER 74 Cb 0.00 -2.33 0.27 0.00 0.21 0.00 0.00 66.02 64.17 1hg3 s SER 74 CO 0.00 -0.73 0.56 1.41 0.41 0.00 0.00 173.24 174.89 1hg3 n HIS 75 N 5.07 -0.28 -1.64 2.43 -0.00 -1.26 -5.11 115.22 114.43 1hg3 n HIS 75 Ca 0.25 -3.60 -0.49 0.00 -0.00 0.00 0.00 57.72 53.88 1hg3 n HIS 75 Cb 0.45 -0.35 -0.05 0.00 -0.00 0.00 0.00 29.99 30.04 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 1.19 0.06 -0.92 1.59 -1.04 -1.26 -1.47 114.28 112.42 1hg3 n THR 76 Ca 0.22 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1hg3 n THR 76 Cb 0.56 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 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 3.15 0.98 3.94 3.41 0.00 -1.26 -5.02 105.19 110.39 1hg3 n GLY 77 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.72 3.49 -0.52 1.61 4.02 -0.54 -5.05 115.29 114.57 1hg3 s HIS 78 Ca 0.00 0.34 -0.21 0.00 1.02 0.00 0.00 55.06 56.21 1hg3 s HIS 78 Cb 0.00 -1.88 0.05 0.00 -1.02 0.00 0.00 32.58 29.73 1hg3 s HIS 78 CO 0.00 0.20 0.75 0.08 1.02 0.00 0.00 174.74 176.79 1hg3 s VAL 79 N -2.19 4.68 -0.13 -0.90 1.01 -1.26 -5.02 120.40 116.60 1hg3 s VAL 79 Ca 0.40 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1hg3 s VAL 79 Cb -0.10 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1hg3 s VAL 79 CO 0.34 -0.93 1.17 -0.22 0.00 0.00 0.00 175.10 175.46 1hg3 s LEU 80 N 3.15 4.21 0.17 3.92 2.96 -1.26 -2.18 118.68 129.65 1hg3 s LEU 80 Ca 0.21 1.66 -0.17 0.00 -0.22 0.00 0.00 54.13 55.61 1hg3 s LEU 80 Cb -0.17 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.08 1hg3 s LEU 80 CO 0.15 -0.64 1.67 -0.65 -1.32 0.00 0.00 176.35 175.56 1hg3 h PRO 81 N 7.67 0.02 0.00 0.98 0.11 -1.80 -1.46 132.00 137.52 1hg3 h PRO 81 Ca -0.28 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1hg3 h PRO 81 Cb 1.12 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1hg3 h PRO 81 CO 0.92 0.01 -0.20 1.05 -0.21 0.00 0.00 178.00 179.57 1hg3 h GLU 82 N 0.02 0.00 -0.33 1.05 9.09 -1.93 -0.82 114.58 121.67 1hg3 h GLU 82 Ca 0.20 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.55 1hg3 h GLU 82 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 1hg3 h GLU 82 CO -0.40 0.20 0.00 0.00 0.05 0.00 0.00 179.01 178.86 1hg3 h ALA 83 N 1.80 0.44 -0.51 1.06 0.00 -1.70 0.19 119.26 120.54 1hg3 h ALA 83 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1hg3 h ALA 83 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1hg3 h ALA 83 CO 0.03 0.19 0.11 0.28 0.00 0.00 0.00 179.25 179.86 1hg3 h VAL 84 N 0.38 1.22 0.02 0.00 2.07 -0.91 -1.82 116.25 117.21 1hg3 h VAL 84 Ca 0.09 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1hg3 h VAL 84 Cb 0.44 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1hg3 h VAL 84 CO 0.02 0.29 -0.01 0.50 0.02 0.00 0.00 177.57 178.39 1hg3 h LYS 85 N 0.75 -0.02 0.00 1.57 1.63 -0.72 -2.86 116.57 116.91 1hg3 h LYS 85 Ca 0.17 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1hg3 h LYS 85 Cb 0.29 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1hg3 h LYS 85 CO -0.00 0.31 -0.07 1.49 -3.45 0.00 0.00 179.45 177.73 1hg3 h GLU 86 N -0.36 0.00 0.00 1.90 4.81 -0.43 -1.02 114.58 119.48 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 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1hg3 h GLU 86 CO 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 179.01 178.36 1hg3 n ALA 87 N -2.29 1.99 0.00 2.92 0.00 -0.70 -4.90 120.51 117.53 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 0.17 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 0.57 0.60 3.76 0.00 0.00 -0.39 -4.16 105.19 105.57 1hg3 n GLY 88 Ca 0.07 0.00 -0.35 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 2.57 -0.42 4.61 0.00 -1.13 -4.73 121.76 120.67 1hg3 s ALA 89 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1hg3 s ALA 89 Cb 0.00 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.75 1hg3 s ALA 89 CO 0.00 -1.07 0.67 1.33 0.00 0.00 0.00 175.76 176.70 1hg3 n VAL 90 N -1.60 0.13 -3.84 0.00 0.24 -0.23 -4.71 118.33 108.32 1hg3 n VAL 90 Ca 0.13 -0.56 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 1hg3 n VAL 90 Cb 0.50 1.00 0.02 0.00 -1.47 0.00 0.00 33.84 33.89 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 0.15 0.71 3.43 7.63 0.00 -1.25 -1.40 105.19 114.46 1hg3 n GLY 91 Ca 0.02 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.12 0.02 0.34 2.61 -1.32 0.24 -1.10 115.64 114.30 1hg3 s THR 92 Ca 0.20 -0.13 -0.12 0.00 -1.21 0.00 0.00 61.69 60.43 1hg3 s THR 92 Cb -0.03 -0.84 -0.07 0.00 -1.51 0.00 0.00 72.50 70.05 1hg3 s THR 92 CO 0.05 -0.07 0.71 -0.76 -2.21 0.00 0.00 174.62 172.35 1hg3 s LEU 93 N -0.80 3.98 0.01 9.08 1.43 -0.25 -1.34 118.68 130.80 1hg3 s LEU 93 Ca -0.09 1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 54.07 1hg3 s LEU 93 Cb -0.03 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1hg3 s LEU 93 CO 0.06 -0.26 0.16 -0.76 0.23 0.00 0.00 176.35 175.77 1hg3 s LEU 94 N -3.34 1.49 -1.51 1.79 1.43 -0.40 -3.32 118.68 114.83 1hg3 s LEU 94 Ca 0.51 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.23 1hg3 s LEU 94 Cb -0.10 0.77 0.08 0.00 0.03 0.00 0.00 46.19 46.96 1hg3 s LEU 94 CO 0.24 -0.43 0.91 -3.20 0.23 0.00 0.00 176.35 174.11 1hg3 n ASN 95 N 1.21 -4.81 -4.77 2.29 5.15 -1.26 -0.30 115.26 112.75 1hg3 n ASN 95 Ca -0.22 -0.71 -0.35 0.00 -0.60 0.00 0.00 54.58 52.71 1hg3 n ASN 95 Cb 0.56 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 35.96 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 -3.25 2.67 0.45 1.20 5.65 -1.25 -4.13 115.29 116.64 1hg3 s HIS 96 Ca 0.62 1.54 0.27 0.00 0.25 0.00 0.00 55.06 57.74 1hg3 s HIS 96 Cb -0.31 -3.29 1.31 0.00 -1.18 0.00 0.00 32.58 29.11 1hg3 s HIS 96 CO 0.77 -1.57 1.75 1.03 -0.65 0.00 0.00 174.74 176.07 1hg3 h SER 97 N 1.20 0.27 -0.10 9.88 0.87 -1.92 0.51 113.55 124.25 1hg3 h SER 97 Ca -0.50 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1hg3 h SER 97 Cb 1.26 0.03 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 0.00 176.83 176.26 1hg3 n GLU 98 N -4.48 1.52 -2.74 2.24 1.02 -1.26 -4.21 120.64 112.73 1hg3 n GLU 98 Ca 0.28 -0.78 -0.09 0.00 -0.02 0.00 0.00 57.16 56.55 1hg3 n GLU 98 Cb 1.10 -1.39 0.09 0.00 -0.02 0.00 0.00 31.44 31.23 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 -0.01 -1.71 -4.76 1.62 5.15 0.17 -5.13 115.26 110.59 1hg3 n ASN 99 Ca 0.16 -3.05 -0.39 0.00 -0.60 0.00 0.00 54.58 50.71 1hg3 n ASN 99 Cb 0.26 1.21 0.03 0.00 -0.53 0.00 0.00 39.78 40.75 1hg3 n ASN 99 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1hg3 s ARG 100 N -0.15 3.42 0.31 1.20 0.52 -0.84 -3.89 118.95 119.52 1hg3 s ARG 100 Ca 0.23 2.34 0.08 0.00 -0.52 0.00 0.00 55.73 57.87 1hg3 s ARG 100 Cb 0.35 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1hg3 s ARG 100 CO -0.06 -1.01 0.14 -1.64 0.02 0.00 0.00 175.30 172.75 1hg3 s MET 101 N -2.67 2.47 -0.05 3.54 -1.94 -1.26 -4.98 119.30 114.40 1hg3 s MET 101 Ca 0.66 -1.43 -0.28 0.00 -1.71 0.00 0.00 55.69 52.94 1hg3 s MET 101 Cb -0.42 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 1hg3 s MET 101 CO 0.53 0.20 0.89 0.42 -0.01 0.00 0.00 175.02 177.04 1hg3 s ILE 102 N -2.35 4.91 0.17 2.53 1.01 -1.26 -4.90 121.20 121.31 1hg3 s ILE 102 Ca 0.36 1.83 -0.13 0.00 0.00 0.00 0.00 60.65 62.71 1hg3 s ILE 102 Cb -0.04 -4.22 0.18 0.00 0.01 0.00 0.00 42.46 38.38 1hg3 s ILE 102 CO 0.23 0.15 1.16 -0.11 0.00 0.00 0.00 174.94 176.36 1hg3 n LEU 103 N 4.19 -0.49 -0.33 2.97 7.94 -1.26 0.17 117.00 130.20 1hg3 n LEU 103 Ca 0.04 1.30 -0.02 0.00 -1.11 0.00 0.00 56.01 56.22 1hg3 n LEU 103 Cb 0.50 -0.30 0.10 0.00 0.53 0.00 0.00 43.42 44.26 1hg3 n LEU 103 CO 0.50 -1.17 1.24 0.00 -1.11 0.00 0.00 177.39 176.86 1hg3 h ALA 104 N 1.02 1.14 -0.49 1.96 0.00 -2.01 -2.20 119.26 118.70 1hg3 h ALA 104 Ca 0.26 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1hg3 h ALA 104 Cb 0.44 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1hg3 h ALA 104 CO -0.74 0.49 0.01 -0.44 0.00 0.00 0.00 179.25 178.57 1hg3 h ASP 105 N 1.17 0.77 0.23 0.00 3.32 -0.66 -2.39 116.42 118.86 1hg3 h ASP 105 Ca 0.34 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1hg3 h ASP 105 Cb -0.09 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.26 1hg3 h ASP 105 CO -0.09 0.83 -0.12 0.25 -1.72 0.00 0.00 179.24 178.39 1hg3 h LEU 106 N 0.75 -0.28 -0.98 1.55 6.46 -0.61 0.28 115.31 122.48 1hg3 h LEU 106 Ca 0.15 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1hg3 h LEU 106 Cb 0.44 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1hg3 h LEU 106 CO 0.02 -0.20 -0.25 1.05 -0.62 0.00 0.00 178.44 178.44 1hg3 h GLU 107 N -0.32 0.00 -0.19 1.25 -0.00 -1.48 -0.87 114.58 112.97 1hg3 h GLU 107 Ca -0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.13 1hg3 h GLU 107 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.01 1hg3 h GLU 107 CO 0.04 0.25 -0.67 0.00 -0.00 0.00 0.00 179.01 178.63 1hg3 h ALA 108 N 1.75 0.45 -0.61 1.06 0.00 -1.12 -2.04 119.26 118.74 1hg3 h ALA 108 Ca -0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1hg3 h ALA 108 Cb 0.81 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1hg3 h ALA 108 CO 0.03 0.69 0.04 0.00 0.00 0.00 0.00 179.25 180.01 1hg3 h ALA 109 N 0.70 0.90 -0.23 0.00 0.00 -0.06 0.19 119.26 120.76 1hg3 h ALA 109 Ca -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1hg3 h ALA 109 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1hg3 h ALA 109 CO 0.14 0.66 0.10 0.82 0.00 0.00 0.00 179.25 180.97 1hg3 h ILE 110 N 0.97 1.15 -0.38 0.00 2.04 -1.07 0.12 117.51 120.34 1hg3 h ILE 110 Ca 0.18 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1hg3 h ILE 110 Cb 0.51 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1hg3 h ILE 110 CO 0.02 0.15 0.21 0.03 0.00 0.00 0.00 178.15 178.57 1hg3 h ARG 111 N 0.23 0.52 -0.89 2.37 2.47 -1.17 -1.88 114.38 116.03 1hg3 h ARG 111 Ca 0.08 -0.05 0.08 0.00 -1.26 0.00 0.00 59.98 58.82 1hg3 h ARG 111 Cb 0.14 -0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.29 1hg3 h ARG 111 CO -0.01 0.41 0.55 -0.09 0.56 0.00 0.00 179.97 181.39 1hg3 h ARG 112 N 0.48 0.94 -0.08 0.04 9.65 -0.34 -0.93 114.38 124.14 1hg3 h ARG 112 Ca 0.13 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.87 1hg3 h ARG 112 Cb 0.03 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 1hg3 h ARG 112 CO -0.02 0.62 -0.34 0.00 2.80 0.00 0.00 179.97 183.02 1hg3 h ALA 113 N 1.44 1.27 -0.12 2.80 0.00 -0.23 -2.73 119.26 121.69 1hg3 h ALA 113 Ca 0.41 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1hg3 h ALA 113 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hg3 h ALA 113 CO -0.20 0.51 -0.15 0.93 0.00 0.00 0.00 179.25 180.34 1hg3 h GLU 114 N 0.15 0.31 -0.94 0.00 5.08 -0.42 0.80 114.58 119.55 1hg3 h GLU 114 Ca 0.02 -0.18 0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1hg3 h GLU 114 Cb 0.68 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 1hg3 h GLU 114 CO 0.05 0.74 0.60 0.93 -1.00 0.00 0.00 179.01 180.33 1hg3 h GLU 115 N -0.09 0.86 -0.00 2.33 5.08 -1.19 -0.23 114.58 121.35 1hg3 h GLU 115 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1hg3 h GLU 115 Cb 0.69 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1hg3 h GLU 115 CO 0.04 0.57 -0.42 0.28 -1.00 0.00 0.00 179.01 178.47 1hg3 n VAL 116 N -4.57 0.00 -1.92 3.13 0.31 -1.04 -4.98 118.33 109.26 1hg3 n VAL 116 Ca 0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1hg3 n VAL 116 Cb 0.37 0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 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 0.67 3.53 2.92 0.00 0.05 -4.98 105.19 108.87 1hg3 n GLY 117 Ca 0.06 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.27 3.36 0.70 0.99 1.43 0.26 -4.83 118.68 120.32 1hg3 s LEU 118 Ca 0.00 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 1hg3 s LEU 118 Cb 0.00 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1hg3 s LEU 118 CO 0.00 0.19 1.15 -0.04 0.23 0.00 0.00 176.35 177.88 1hg3 s MET 119 N 0.25 2.45 -0.08 1.70 -1.94 -0.49 -4.26 119.30 116.92 1hg3 s MET 119 Ca -0.02 1.53 0.05 0.00 -1.71 0.00 0.00 55.69 55.54 1hg3 s MET 119 Cb -0.14 -1.89 -0.00 0.00 2.01 0.00 0.00 34.83 34.81 1hg3 s MET 119 CO 0.02 -1.55 -0.23 0.95 -0.01 0.00 0.00 175.02 174.20 1hg3 s THR 120 N -2.23 1.95 -0.40 2.05 -4.23 -1.26 -0.59 115.64 110.92 1hg3 s THR 120 Ca 0.70 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 1hg3 s THR 120 Cb -0.24 -1.68 0.12 0.00 1.34 0.00 0.00 72.50 72.04 1hg3 s THR 120 CO 0.44 0.54 0.17 -0.32 -0.54 0.00 0.00 174.62 174.91 1hg3 s MET 121 N 0.19 1.32 -0.12 3.99 0.00 -0.45 -0.87 119.30 123.37 1hg3 s MET 121 Ca -0.13 -1.87 -0.21 0.00 0.00 0.00 0.00 55.69 53.48 1hg3 s MET 121 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 34.83 32.01 1hg3 s MET 121 CO 0.07 -1.06 0.59 0.08 0.00 0.00 0.00 175.02 174.69 1hg3 s VAL 122 N 0.65 5.10 0.30 10.11 1.01 0.81 -1.27 120.40 137.11 1hg3 s VAL 122 Ca 0.14 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 1hg3 s VAL 122 Cb -0.22 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1hg3 s VAL 122 CO -0.08 0.25 0.75 0.00 0.00 0.00 0.00 175.10 176.02 1hg3 s SER 124 N -2.09 1.41 -0.00 0.00 1.04 0.34 -4.71 113.70 109.68 1hg3 s SER 124 Ca 0.51 -0.83 0.16 0.00 0.48 0.00 0.00 55.95 56.27 1hg3 s SER 124 Cb -0.12 0.02 -0.18 0.00 0.10 0.00 0.00 66.02 65.83 1hg3 s SER 124 CO 0.18 -0.29 0.67 -0.46 0.98 0.00 0.00 173.24 174.33 1hg3 n ASN 125 N 0.48 0.80 -3.81 7.02 6.94 -1.26 -1.33 115.26 124.10 1hg3 n ASN 125 Ca -0.16 -0.82 -0.05 0.00 -0.02 0.00 0.00 54.58 53.53 1hg3 n ASN 125 Cb 0.58 1.06 -0.02 0.00 -2.36 0.00 0.00 39.78 39.04 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 0.16 0.53 6.03 -1.26 -4.42 114.94 113.11 1hg3 s ASN 126 Ca 0.05 -0.51 -0.20 0.00 -1.03 0.00 0.00 52.86 51.18 1hg3 s ASN 126 Cb 0.12 0.62 0.07 0.00 -3.03 0.00 0.00 41.25 39.03 1hg3 s ASN 126 CO 0.67 -1.14 1.65 -0.65 -2.03 0.00 0.00 177.10 175.60 1hg3 h PRO 127 N 2.00 -0.12 -0.45 3.55 0.11 -1.94 0.75 132.00 135.90 1hg3 h PRO 127 Ca -0.21 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.97 1hg3 h PRO 127 Cb 1.24 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 1hg3 h PRO 127 CO 0.24 -0.08 0.15 0.00 -0.21 0.00 0.00 178.00 178.10 1hg3 h ALA 128 N 1.10 0.53 -0.45 -0.75 0.00 -1.98 0.80 119.26 118.51 1hg3 h ALA 128 Ca 0.17 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1hg3 h ALA 128 Cb 0.39 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1hg3 h ALA 128 CO -0.41 -0.25 -0.01 0.28 0.00 0.00 0.00 179.25 178.86 1hg3 h VAL 129 N 0.31 1.24 -0.81 0.00 2.07 -1.88 -1.46 116.25 115.71 1hg3 h VAL 129 Ca 0.21 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1hg3 h VAL 129 Cb 0.22 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1hg3 h VAL 129 CO -0.23 0.34 0.53 0.28 0.02 0.00 0.00 177.57 178.52 1hg3 h SER 130 N 0.70 0.94 -0.33 0.57 0.02 0.62 0.11 113.55 116.18 1hg3 h SER 130 Ca 0.14 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1hg3 h SER 130 Cb 0.44 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1hg3 h SER 130 CO 0.02 0.68 -0.08 0.00 -1.14 0.00 0.00 176.83 176.31 1hg3 h ALA 131 N 1.49 0.45 -0.63 3.77 0.00 -0.17 -1.73 119.26 122.43 1hg3 h ALA 131 Ca 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hg3 h ALA 131 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1hg3 h ALA 131 CO -0.06 0.29 0.36 0.00 0.00 0.00 0.00 179.25 179.84 1hg3 h ALA 132 N 0.81 0.80 -0.88 0.00 0.00 -0.51 -2.01 119.26 117.47 1hg3 h ALA 132 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1hg3 h ALA 132 Cb 0.58 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1hg3 h ALA 132 CO 0.03 0.30 0.48 0.28 0.00 0.00 0.00 179.25 180.34 1hg3 h VAL 133 N 0.85 1.26 -1.00 0.00 2.07 -0.71 -2.59 116.25 116.12 1hg3 h VAL 133 Ca 0.22 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1hg3 h VAL 133 Cb 0.01 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 1hg3 h VAL 133 CO -0.04 0.29 0.66 0.00 0.02 0.00 0.00 177.57 178.50 1hg3 h ALA 134 N 1.26 1.28 0.00 1.67 0.00 -0.63 -1.04 119.26 121.80 1hg3 h ALA 134 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1hg3 h ALA 134 Cb 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1hg3 h ALA 134 CO -0.05 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1hg3 n ALA 135 N -2.38 1.35 1.43 0.00 0.00 -0.84 -0.33 120.51 119.75 1hg3 n ALA 135 Ca 0.12 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1hg3 n ALA 135 Cb 0.03 -1.32 0.53 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.16 0.98 -3.51 0.00 4.77 -0.40 -4.98 117.00 111.70 1hg3 n LEU 136 Ca 0.00 -0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 55.52 1hg3 n LEU 136 Cb 0.13 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1hg3 n LEU 136 CO 0.14 0.17 0.01 -3.20 -1.33 0.00 0.00 177.39 173.18 1hg3 n ASN 137 N -0.45 -3.19 -4.44 -1.43 5.15 0.55 -4.96 115.26 106.48 1hg3 n ASN 137 Ca 0.16 -0.76 -0.27 0.00 -0.60 0.00 0.00 54.58 53.11 1hg3 n ASN 137 Cb 0.31 -4.57 0.14 0.00 -0.53 0.00 0.00 39.78 35.14 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 -5.42 1.22 -0.06 1.20 0.02 -1.26 -5.00 135.00 125.70 1hg3 s PRO 138 Ca 0.16 -0.56 -0.25 0.00 0.02 0.00 0.00 61.00 60.38 1hg3 s PRO 138 Cb -0.03 -2.03 -0.23 0.00 0.02 0.00 0.00 34.50 32.22 1hg3 s PRO 138 CO 0.78 -1.94 1.03 -0.44 -0.33 0.00 0.00 177.00 176.11 1hg3 h ASP 139 N -1.15 0.18 -4.66 2.53 3.32 -1.87 -3.42 116.42 111.35 1hg3 h ASP 139 Ca -0.42 -0.76 -0.32 0.00 0.02 0.00 0.00 57.03 55.55 1hg3 h ASP 139 Cb 1.26 -0.05 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 1hg3 h ASP 139 CO 0.43 0.92 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.81 1hg3 s TYR 140 N -3.18 0.86 -0.11 4.55 1.51 -0.05 -2.02 117.35 118.91 1hg3 s TYR 140 Ca -0.16 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.43 1hg3 s TYR 140 Cb 0.01 -0.50 0.01 0.00 -0.11 0.00 0.00 41.96 41.36 1hg3 s TYR 140 CO 0.73 -0.04 -0.19 0.54 -1.11 0.00 0.00 175.55 175.48 1hg3 s VAL 141 N -1.39 1.76 -0.31 0.71 0.11 -0.08 -0.13 120.40 121.06 1hg3 s VAL 141 Ca -0.07 -0.82 -0.05 0.00 -2.93 0.00 0.00 61.98 58.12 1hg3 s VAL 141 Cb -0.10 -1.56 0.04 0.00 -1.53 0.00 0.00 36.38 33.23 1hg3 s VAL 141 CO 0.01 0.49 0.06 0.00 -3.33 0.00 0.00 175.10 172.33 1hg3 s ALA 142 N 0.70 2.95 -0.19 1.54 0.00 0.18 -1.50 121.76 125.44 1hg3 s ALA 142 Ca -0.12 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 49.88 1hg3 s ALA 142 Cb -0.16 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.85 1hg3 s ALA 142 CO 0.02 -1.22 0.98 0.08 0.00 0.00 0.00 175.76 175.63 1hg3 s VAL 143 N 1.37 4.76 -0.23 0.00 1.01 -0.56 -0.51 120.40 126.23 1hg3 s VAL 143 Ca -0.02 1.93 -0.04 0.00 0.00 0.00 0.00 61.98 63.85 1hg3 s VAL 143 Cb -0.19 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.02 1hg3 s VAL 143 CO 0.01 -0.09 0.19 -1.61 0.00 0.00 0.00 175.10 173.61 1hg3 s GLU 144 N 2.67 0.19 0.04 2.72 2.02 -0.45 -0.66 118.70 125.23 1hg3 s GLU 144 Ca 0.43 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 1hg3 s GLU 144 Cb -0.16 -1.24 -0.08 0.00 0.10 0.00 0.00 34.13 32.74 1hg3 s GLU 144 CO 0.10 -0.78 1.83 -2.14 0.02 0.00 0.00 175.26 174.30 1hg3 s PRO 145 N 2.26 4.16 0.41 0.39 0.02 -1.26 -4.48 135.00 136.49 1hg3 s PRO 145 Ca 0.07 2.49 0.09 0.00 0.02 0.00 0.00 61.00 63.66 1hg3 s PRO 145 Cb -0.16 -3.92 0.89 0.00 0.02 0.00 0.00 34.50 31.34 1hg3 s PRO 145 CO -0.19 -0.88 2.03 -1.35 -0.33 0.00 0.00 177.00 176.28 1hg3 h PRO 146 N 9.62 0.52 0.00 5.54 0.11 -1.93 -2.15 132.00 143.71 1hg3 h PRO 146 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hg3 h PRO 146 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1hg3 h PRO 146 CO 0.94 0.35 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 -2.26 120.64 118.41 1hg3 n GLU 147 Ca 0.05 0.34 0.04 0.00 -0.01 0.00 0.00 57.16 57.58 1hg3 n GLU 147 Cb 0.15 -1.53 -0.05 0.00 -1.01 0.00 0.00 31.44 29.00 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 0.25 -0.30 -4.62 4.77 -0.83 -4.75 117.00 109.97 1hg3 n LEU 148 Ca 0.02 -0.33 0.27 0.00 -0.03 0.00 0.00 56.01 55.94 1hg3 n LEU 148 Cb 0.12 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.62 1hg3 n LEU 148 CO 0.10 0.06 0.91 -0.38 -1.33 0.00 0.00 177.39 176.75 1hg3 n ILE 149 N -1.39 0.00 -1.05 -0.08 2.08 -0.96 -2.16 119.36 115.80 1hg3 n ILE 149 Ca 0.00 0.91 0.00 0.00 0.56 0.00 0.00 62.75 64.22 1hg3 n ILE 149 Cb 0.15 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.47 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 -1.50 1.00 0.13 7.39 0.00 -1.26 -4.57 105.19 106.38 1hg3 n GLY 150 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 1.12 -1.00 2.61 -2.24 -0.92 -4.83 114.28 109.02 1hg3 n THR 151 Ca 0.00 0.58 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 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 -0.98 0.48 3.50 3.38 0.00 -1.26 -5.00 105.19 105.31 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 -1.96 5.17 0.25 -0.61 1.01 -1.26 -4.84 121.20 118.96 1hg3 s ILE 153 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.09 1hg3 s ILE 153 Cb 0.00 -3.91 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 1hg3 s ILE 153 CO 0.00 -0.25 1.33 -2.65 0.00 0.00 0.00 174.94 173.37 1hg3 n PRO 154 N 5.40 1.89 0.17 2.79 -0.02 -1.17 -3.91 135.00 140.15 1hg3 n PRO 154 Ca -0.09 0.67 0.05 0.00 -2.02 0.00 0.00 63.50 62.11 1hg3 n PRO 154 Cb 0.48 -2.27 0.25 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.84 0.87 0.00 -1.45 -1.51 -1.56 -2.01 116.25 113.42 1hg3 h VAL 155 Ca -0.44 -1.72 -0.11 0.00 -1.23 0.00 0.00 66.70 63.19 1hg3 h VAL 155 Cb 1.29 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 32.51 1hg3 h VAL 155 CO 0.72 0.40 -0.51 0.77 -1.23 0.00 0.00 177.57 177.72 1hg3 h SER 156 N 0.00 0.00 0.09 4.19 4.64 -1.89 -3.28 113.55 117.30 1hg3 h SER 156 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1hg3 h SER 156 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1hg3 h SER 156 CO 0.05 0.51 -0.05 0.11 -0.87 0.00 0.00 176.83 176.59 1hg3 h LYS 157 N 0.00 -0.12 -5.58 4.77 1.57 -1.89 -3.41 116.57 111.90 1hg3 h LYS 157 Ca -0.01 0.01 -0.66 0.00 -1.87 0.00 0.00 60.65 58.13 1hg3 h LYS 157 Cb 0.97 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.23 1hg3 h LYS 157 CO 0.07 -0.08 -0.48 0.00 -0.57 0.00 0.00 179.45 178.38 1hg3 s ALA 158 N -2.92 3.84 -0.84 3.86 0.00 -0.78 -4.47 121.76 120.46 1hg3 s ALA 158 Ca -0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1hg3 s ALA 158 Cb 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.13 1hg3 s ALA 158 CO 0.06 0.54 0.73 1.63 0.00 0.00 0.00 175.76 178.71 1hg3 n LYS 159 N 2.25 -4.91 0.29 0.00 5.02 -1.26 -4.29 118.16 115.27 1hg3 n LYS 159 Ca -0.19 0.53 0.16 0.00 -2.02 0.00 0.00 58.31 56.79 1hg3 n LYS 159 Cb 0.54 -4.64 0.90 0.00 -0.02 0.00 0.00 35.03 31.81 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 -1.63 0.00 -0.42 1.97 0.11 -1.78 -1.65 132.00 128.61 1hg3 h PRO 160 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 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 0.05 0.26 0.93 -0.21 0.00 0.00 178.00 179.38 1hg3 h GLU 161 N 0.00 0.55 0.00 1.05 3.07 -1.91 -0.40 114.58 116.94 1hg3 h GLU 161 Ca -0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1hg3 h GLU 161 Cb 0.17 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1hg3 h GLU 161 CO 0.01 0.38 -0.04 0.28 -1.40 0.00 0.00 179.01 178.23 1hg3 h VAL 162 N 0.57 0.85 0.03 3.13 2.07 -1.67 0.26 116.25 121.49 1hg3 h VAL 162 Ca 0.15 -0.15 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1hg3 h VAL 162 Cb -0.05 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1hg3 h VAL 162 CO -0.03 0.04 -0.80 0.40 0.02 0.00 0.00 177.57 177.20 1hg3 h ILE 163 N 0.00 1.31 -0.29 4.57 2.04 -1.24 -3.16 117.51 120.74 1hg3 h ILE 163 Ca -0.00 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.53 1hg3 h ILE 163 Cb 0.08 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1hg3 h ILE 163 CO 0.01 0.53 0.13 0.74 0.00 0.00 0.00 178.15 179.56 1hg3 h THR 164 N -0.81 1.16 -0.16 -0.27 2.02 -1.05 -0.57 112.91 113.23 1hg3 h THR 164 Ca -0.20 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 1hg3 h THR 164 Cb 1.31 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1hg3 h THR 164 CO -0.05 0.16 -0.13 0.78 0.37 0.00 0.00 175.52 176.66 1hg3 h ASN 165 N 0.33 0.24 0.17 4.18 2.35 -0.67 -1.74 115.58 120.44 1hg3 h ASN 165 Ca 0.10 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1hg3 h ASN 165 Cb 0.14 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1hg3 h ASN 165 CO -0.01 0.40 -0.08 0.74 -1.65 0.00 0.00 177.43 176.83 1hg3 h THR 166 N 0.24 0.94 -0.86 2.81 2.02 -1.44 0.49 112.91 117.12 1hg3 h THR 166 Ca 0.05 -0.90 0.14 0.00 0.77 0.00 0.00 66.41 66.47 1hg3 h THR 166 Cb 0.38 1.46 -0.09 0.00 -1.74 0.00 0.00 68.15 68.16 1hg3 h THR 166 CO 0.02 0.20 0.45 0.58 0.37 0.00 0.00 175.52 177.14 1hg3 h VAL 167 N -0.70 0.74 0.50 3.16 2.07 -0.93 0.35 116.25 121.45 1hg3 h VAL 167 Ca -0.02 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1hg3 h VAL 167 Cb 0.50 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1hg3 h VAL 167 CO 0.04 0.12 -0.24 -0.33 0.02 0.00 0.00 177.57 177.17 1hg3 h GLU 168 N 0.64 -0.65 -0.44 1.57 5.08 -1.29 -1.85 114.58 117.65 1hg3 h GLU 168 Ca 0.46 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.93 1hg3 h GLU 168 Cb 0.64 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 1hg3 h GLU 168 CO -0.36 -0.37 0.11 -0.07 -1.00 0.00 0.00 179.01 177.32 1hg3 h LEU 169 N -1.10 0.05 0.03 1.33 3.38 -0.56 -0.46 115.31 117.97 1hg3 h LEU 169 Ca -0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hg3 h LEU 169 Cb 0.58 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1hg3 h LEU 169 CO 0.11 0.06 -0.04 0.58 0.09 0.00 0.00 178.44 179.25 1hg3 h VAL 170 N 0.25 0.92 -0.91 1.22 2.07 -0.40 0.05 116.25 119.45 1hg3 h VAL 170 Ca 0.21 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1hg3 h VAL 170 Cb 0.25 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1hg3 h VAL 170 CO -0.26 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.41 1hg3 h LYS 171 N -0.08 0.85 -0.15 1.57 3.64 -0.86 0.25 116.57 121.79 1hg3 h LYS 171 Ca 0.01 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1hg3 h LYS 171 Cb 0.08 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1hg3 h LYS 171 CO -0.02 0.56 -0.67 -0.22 -2.27 0.00 0.00 179.45 176.84 1hg3 h LYS 172 N 0.88 0.61 0.09 1.90 3.64 -0.63 -3.14 116.57 119.92 1hg3 h LYS 172 Ca 0.43 -0.44 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1hg3 h LYS 172 Cb 0.45 0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1hg3 h LYS 172 CO -0.19 1.07 -0.59 0.28 -2.27 0.00 0.00 179.45 177.74 1hg3 h VAL 173 N 0.44 1.57 -1.66 2.00 2.07 -0.14 -3.45 116.25 117.08 1hg3 h VAL 173 Ca -0.02 -2.44 -0.21 0.00 0.82 0.00 0.00 66.70 64.85 1hg3 h VAL 173 Cb 1.25 3.19 -0.28 0.00 -1.52 0.00 0.00 31.29 33.93 1hg3 h VAL 173 CO 0.13 0.68 -0.55 0.21 0.02 0.00 0.00 177.57 178.05 1hg3 s ASN 174 N -6.76 0.30 0.60 0.57 3.84 0.79 -4.87 114.94 109.41 1hg3 s ASN 174 Ca -0.15 -0.65 0.30 0.00 0.21 0.00 0.00 52.86 52.57 1hg3 s ASN 174 Cb 0.00 1.11 1.62 0.00 -0.55 0.00 0.00 41.25 43.43 1hg3 s ASN 174 CO 0.80 -0.32 2.01 -0.65 -2.79 0.00 0.00 177.10 176.15 1hg3 h PRO 175 N 7.83 0.00 0.00 0.43 0.11 -1.69 -2.36 132.00 136.32 1hg3 h PRO 175 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1hg3 h PRO 175 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1hg3 h PRO 175 CO 0.23 0.00 -0.26 0.93 -0.21 0.00 0.00 178.00 178.69 1hg3 h GLU 176 N 0.00 0.00 -6.63 1.05 5.08 -1.91 -3.45 114.58 108.72 1hg3 h GLU 176 Ca 0.11 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.96 1hg3 h GLU 176 Cb 0.73 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1hg3 h GLU 176 CO -0.00 0.19 0.45 0.08 -1.00 0.00 0.00 179.01 178.73 1hg3 s VAL 177 N -3.12 4.03 0.04 3.13 1.01 -0.89 -4.98 120.40 119.63 1hg3 s VAL 177 Ca 0.05 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.75 1hg3 s VAL 177 Cb 0.06 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1hg3 s VAL 177 CO 0.71 0.28 0.12 -0.54 0.00 0.00 0.00 175.10 175.67 1hg3 s LYS 178 N -0.20 3.13 -0.11 2.72 -0.14 -0.86 -4.84 119.74 119.45 1hg3 s LYS 178 Ca 0.49 -0.53 -0.02 0.00 -1.36 0.00 0.00 55.97 54.55 1hg3 s LYS 178 Cb -0.28 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 32.96 1hg3 s LYS 178 CO 0.33 0.61 -0.04 0.08 -0.76 0.00 0.00 175.35 175.58 1hg3 s VAL 179 N -1.36 3.94 0.22 3.17 1.01 -1.26 -0.91 120.40 125.21 1hg3 s VAL 179 Ca 0.29 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1hg3 s VAL 179 Cb -0.12 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1hg3 s VAL 179 CO 0.21 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.99 1hg3 s LEU 180 N -0.26 2.50 0.13 3.92 1.43 -0.56 -0.27 118.68 125.57 1hg3 s LEU 180 Ca 0.05 -1.08 0.06 0.00 -1.03 0.00 0.00 54.13 52.12 1hg3 s LEU 180 Cb -0.13 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 1hg3 s LEU 180 CO 0.02 -0.26 -0.13 0.00 0.23 0.00 0.00 176.35 176.21 1hg3 s GLY 182 N -2.67 1.40 0.00 0.00 0.00 0.16 -1.59 107.32 104.63 1hg3 s GLY 182 Ca 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1hg3 s GLY 182 CO 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 173.10 172.05 1hg3 n ALA 183 N -0.47 -0.76 -0.32 3.20 0.00 -1.24 -4.29 120.51 116.64 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 1.97 1.91 3.64 0.00 0.00 -1.25 -1.90 105.19 109.55 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 -3.15 3.75 0.00 -0.61 -1.09 -1.26 -3.05 121.20 115.78 1hg3 s ILE 185 Ca 0.00 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1hg3 s ILE 185 Cb 0.00 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1hg3 s ILE 185 CO 0.00 -0.21 0.00 -1.54 -1.23 0.00 0.00 174.94 171.96 1hg3 n SER 186 N 7.82 0.07 -4.79 3.58 3.41 -1.26 -4.59 113.62 117.85 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 0.44 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.05 4.66 0.45 6.66 2.01 -1.26 -4.63 115.64 123.47 1hg3 s THR 187 Ca 0.00 -0.68 0.32 0.00 0.31 0.00 0.00 61.69 61.64 1hg3 s THR 187 Cb 0.00 -3.23 0.35 0.00 0.01 0.00 0.00 72.50 69.62 1hg3 s THR 187 CO 0.00 0.16 2.15 1.23 -0.69 0.00 0.00 174.62 177.46 1hg3 h GLY 188 N 3.37 0.00 1.04 4.40 0.00 -1.78 -1.50 103.07 108.61 1hg3 h GLY 188 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 1hg3 h GLY 188 CO 0.67 0.00 -0.27 -2.09 0.00 0.00 0.00 176.54 174.84 1hg3 h GLU 189 N 0.00 0.83 -0.89 4.80 4.81 -1.89 -0.70 114.58 121.54 1hg3 h GLU 189 Ca -0.00 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1hg3 h GLU 189 Cb 0.25 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1hg3 h GLU 189 CO 0.01 1.04 0.50 -0.44 -0.73 0.00 0.00 179.01 179.39 1hg3 h ASP 190 N 0.63 1.10 -0.38 1.04 3.32 -1.69 0.26 116.42 120.71 1hg3 h ASP 190 Ca 0.07 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1hg3 h ASP 190 Cb 0.85 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1hg3 h ASP 190 CO 0.07 0.87 0.03 0.58 -1.72 0.00 0.00 179.24 179.08 1hg3 h VAL 191 N 1.24 1.23 -0.19 -1.35 2.07 -1.22 0.12 116.25 118.14 1hg3 h VAL 191 Ca 0.32 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1hg3 h VAL 191 Cb 0.01 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1hg3 h VAL 191 CO -0.05 0.32 -0.05 0.50 0.02 0.00 0.00 177.57 178.31 1hg3 h LYS 192 N 0.70 0.38 0.33 1.57 3.64 0.25 -2.70 116.57 120.73 1hg3 h LYS 192 Ca 0.14 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1hg3 h LYS 192 Cb 0.39 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1hg3 h LYS 192 CO 0.01 0.64 -0.16 0.87 -2.27 0.00 0.00 179.45 178.54 1hg3 h LYS 193 N 0.09 -0.42 -0.69 1.90 1.57 -0.20 -1.53 116.57 117.29 1hg3 h LYS 193 Ca 0.05 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 1hg3 h LYS 193 Cb 0.50 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.77 1hg3 h LYS 193 CO 0.02 -0.25 -0.25 0.00 -0.57 0.00 0.00 179.45 178.41 1hg3 h ALA 194 N 0.17 0.28 -0.61 3.86 0.00 -0.81 -0.23 119.26 121.93 1hg3 h ALA 194 Ca -0.04 0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1hg3 h ALA 194 Cb 0.37 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1hg3 h ALA 194 CO 0.07 -0.52 0.04 0.82 0.00 0.00 0.00 179.25 179.67 1hg3 h ILE 195 N -0.06 1.26 -0.99 0.00 2.04 -1.35 -2.67 117.51 115.74 1hg3 h ILE 195 Ca 0.31 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1hg3 h ILE 195 Cb 0.54 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1hg3 h ILE 195 CO -0.74 0.40 0.65 -0.33 0.00 0.00 0.00 178.15 178.13 1hg3 h GLU 196 N 0.96 1.32 0.00 2.37 5.08 -0.04 -1.32 114.58 122.95 1hg3 h GLU 196 Ca 0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1hg3 h GLU 196 Cb 0.50 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1hg3 h GLU 196 CO 0.02 0.88 0.00 1.28 -1.00 0.00 0.00 179.01 180.19 1hg3 n LEU 197 N -4.37 0.00 0.00 1.33 4.77 -0.29 -4.79 117.00 113.65 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 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1hg3 n LEU 197 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1hg3 n GLY 198 N -0.12 0.66 3.84 -0.72 0.00 -0.50 -4.60 105.19 103.76 1hg3 n GLY 198 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 3.73 -1.62 2.61 2.01 -1.03 -4.87 115.64 114.48 1hg3 s THR 199 Ca 0.00 0.56 0.14 0.00 0.31 0.00 0.00 61.69 62.70 1hg3 s THR 199 Cb 0.00 -3.43 0.18 0.00 0.01 0.00 0.00 72.50 69.27 1hg3 s THR 199 CO 0.00 -0.74 1.05 0.52 -0.69 0.00 0.00 174.62 174.76 1hg3 n VAL 200 N -3.11 0.26 -4.00 3.82 0.31 0.62 -4.47 118.33 111.77 1hg3 n VAL 200 Ca 0.07 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1hg3 n VAL 200 Cb 0.55 1.09 0.00 0.00 -0.91 0.00 0.00 33.84 34.57 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 0.79 -1.05 3.00 2.92 0.00 -1.26 -1.14 105.19 108.46 1hg3 n GLY 201 Ca 0.10 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 0.28 -3.05 120.40 117.27 1hg3 s VAL 202 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1hg3 s VAL 202 Cb 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1hg3 s VAL 202 CO 0.00 -0.49 -0.13 -0.22 0.00 0.00 0.00 175.10 174.26 1hg3 s LEU 203 N -1.55 2.48 0.25 3.92 2.96 -0.62 -0.43 118.68 125.69 1hg3 s LEU 203 Ca -0.14 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.22 1hg3 s LEU 203 Cb -0.09 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1hg3 s LEU 203 CO -0.01 -0.01 0.29 -1.48 -1.32 0.00 0.00 176.35 173.82 1hg3 s LEU 204 N 1.36 1.03 0.00 -0.68 0.05 -0.66 -3.68 118.68 116.10 1hg3 s LEU 204 Ca 0.05 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 52.87 1hg3 s LEU 204 Cb -0.14 0.90 0.00 0.00 -2.05 0.00 0.00 46.19 44.90 1hg3 s LEU 204 CO -0.08 -1.02 0.00 0.00 -0.55 0.00 0.00 176.35 174.70 1hg3 n ALA 205 N -0.40 1.55 -0.25 1.48 0.00 -1.26 0.30 120.51 121.93 1hg3 n ALA 205 Ca 0.02 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.66 1hg3 n ALA 205 Cb 0.64 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.61 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 0.40 -1.00 0.00 4.64 -1.91 0.15 113.55 115.83 1hg3 h SER 206 Ca 0.00 0.05 0.23 0.00 -0.47 0.00 0.00 61.79 61.60 1hg3 h SER 206 Cb 0.00 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 61.97 1hg3 h SER 206 CO 0.00 0.15 0.63 1.23 -0.87 0.00 0.00 176.83 177.97 1hg3 h GLY 207 N 0.39 1.35 0.00 -0.77 0.00 -1.93 0.11 103.07 102.22 1hg3 h GLY 207 Ca 0.49 -0.25 -0.39 0.00 0.00 0.00 0.00 47.33 47.17 1hg3 h GLY 207 CO -0.19 -0.10 -2.21 -0.62 0.00 0.00 0.00 176.54 173.42 1hg3 n VAL 208 N -4.66 1.53 -0.29 4.60 0.31 -0.73 -4.02 118.33 115.07 1hg3 n VAL 208 Ca 0.24 -0.29 0.21 0.00 -0.01 0.00 0.00 64.34 64.49 1hg3 n VAL 208 Cb 0.75 -1.94 0.51 0.00 -0.91 0.00 0.00 33.84 32.24 1hg3 n VAL 208 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1hg3 h THR 209 N -1.00 0.60 -0.02 2.52 2.02 -0.84 -1.45 112.91 114.75 1hg3 h THR 209 Ca -0.59 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1hg3 h THR 209 Cb 1.51 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1hg3 h THR 209 CO -0.36 0.07 -0.41 0.29 0.37 0.00 0.00 175.52 175.49 1hg3 n LYS 210 N -4.55 1.40 -1.99 6.66 4.76 0.37 -4.72 118.16 120.08 1hg3 n LYS 210 Ca 0.22 -1.02 -0.42 0.00 -2.87 0.00 0.00 58.31 54.22 1hg3 n LYS 210 Cb 0.79 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 32.53 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 -2.29 3.71 0.32 7.82 0.00 -0.55 -4.89 121.76 125.89 1hg3 s ALA 211 Ca 0.18 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.50 1hg3 s ALA 211 Cb 0.17 -3.59 0.64 0.00 0.00 0.00 0.00 23.12 20.34 1hg3 s ALA 211 CO 0.51 -0.74 1.89 0.87 0.00 0.00 0.00 175.76 178.28 1hg3 h LYS 212 N 6.27 0.87 -3.06 0.00 1.57 -1.93 -3.26 116.57 117.03 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 -0.20 -0.41 0.00 0.08 0.00 0.00 32.23 32.92 1hg3 h LYS 212 CO 0.87 0.58 -0.69 0.34 -0.57 0.00 0.00 179.45 179.97 1hg3 s ASP 213 N -5.89 3.89 0.27 0.86 2.15 -1.26 -5.01 116.67 111.68 1hg3 s ASP 213 Ca -0.11 -3.04 -0.02 0.00 0.43 0.00 0.00 52.55 49.81 1hg3 s ASP 213 Cb 0.21 -1.28 0.58 0.00 -0.30 0.00 0.00 42.92 42.13 1hg3 s ASP 213 CO 0.80 -0.21 1.65 -0.65 -0.17 0.00 0.00 175.17 176.59 1hg3 h PRO 214 N 6.28 0.19 0.05 4.34 0.11 -1.81 -1.88 132.00 139.28 1hg3 h PRO 214 Ca 0.03 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.14 1hg3 h PRO 214 Cb 0.88 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 1hg3 h PRO 214 CO 0.58 0.13 -0.13 1.49 -0.21 0.00 0.00 178.00 179.86 1hg3 h GLU 215 N 0.20 -0.23 -0.80 1.05 4.81 -1.93 0.55 114.58 118.23 1hg3 h GLU 215 Ca 0.48 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.81 1hg3 h GLU 215 Cb 0.91 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.28 1hg3 h GLU 215 CO -0.63 -0.16 0.47 -0.22 -0.73 0.00 0.00 179.01 177.75 1hg3 h LYS 216 N -0.24 0.80 -0.66 1.92 3.64 -1.79 0.19 116.57 120.42 1hg3 h LYS 216 Ca 0.03 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1hg3 h LYS 216 Cb 0.28 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1hg3 h LYS 216 CO -0.10 0.53 0.32 0.00 -2.27 0.00 0.00 179.45 177.93 1hg3 h ALA 217 N 1.42 0.86 -0.46 5.00 0.00 -0.76 0.25 119.26 125.57 1hg3 h ALA 217 Ca 0.37 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1hg3 h ALA 217 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1hg3 h ALA 217 CO -0.21 0.42 -0.11 0.82 0.00 0.00 0.00 179.25 180.17 1hg3 h ILE 218 N 0.92 1.27 -0.70 0.00 2.04 -0.06 -2.19 117.51 118.79 1hg3 h ILE 218 Ca 0.23 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1hg3 h ILE 218 Cb 0.12 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1hg3 h ILE 218 CO -0.03 0.42 0.39 -0.25 0.00 0.00 0.00 178.15 178.68 1hg3 h TRP 219 N 0.72 0.96 -0.28 1.37 2.91 -0.29 -0.52 115.95 120.82 1hg3 h TRP 219 Ca 0.12 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.16 1hg3 h TRP 219 Cb 0.65 -0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 28.95 1hg3 h TRP 219 CO 0.05 0.68 0.02 -0.44 -1.03 0.00 0.00 178.44 177.72 1hg3 h ASP 220 N 0.97 -0.05 -0.46 2.65 3.32 -0.75 0.23 116.42 122.32 1hg3 h ASP 220 Ca 0.25 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.39 1hg3 h ASP 220 Cb 0.03 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1hg3 h ASP 220 CO -0.04 0.01 0.24 -0.07 -1.72 0.00 0.00 179.24 177.66 1hg3 h LEU 221 N 0.12 0.37 -1.35 1.55 3.38 -1.00 -2.22 115.31 116.16 1hg3 h LEU 221 Ca 0.13 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1hg3 h LEU 221 Cb 0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1hg3 h LEU 221 CO -0.20 0.26 -0.31 0.58 0.09 0.00 0.00 178.44 178.86 1hg3 h VAL 222 N 0.49 1.04 0.00 1.22 2.07 -0.52 -2.11 116.25 118.43 1hg3 h VAL 222 Ca 0.20 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1hg3 h VAL 222 Cb 0.08 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1hg3 h VAL 222 CO -0.12 0.31 0.00 0.77 0.02 0.00 0.00 177.57 178.54 1hg3 h SER 223 N 0.00 0.00 -0.16 0.57 4.64 0.08 -0.29 113.55 118.39 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 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 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 -0.82 1.28 0.00 -0.77 0.00 -0.79 -4.98 105.19 99.10 1hg3 n GLY 224 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1hg3 n GLY 224 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71