#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 0.75 0.42 0.00 1.02 -1.26 -4.94 119.74 115.74 1hg3 s LYS 3 Ca 0.00 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.36 1hg3 s LYS 3 Cb 0.00 0.31 -0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1hg3 s LYS 3 CO 0.00 -0.23 0.62 -0.51 -0.92 0.00 0.00 175.35 174.31 1hg3 s LEU 4 N -2.22 3.71 -0.04 3.17 1.43 -1.26 -5.02 118.68 118.45 1hg3 s LEU 4 Ca -0.03 0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 1hg3 s LEU 4 Cb 0.00 -2.99 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 1hg3 s LEU 4 CO -0.05 -0.67 1.72 -0.54 0.23 0.00 0.00 176.35 177.04 1hg3 s LYS 5 N -4.45 4.16 0.63 1.70 1.02 -1.26 -4.87 119.74 116.66 1hg3 s LYS 5 Ca 0.48 2.26 0.30 0.00 0.02 0.00 0.00 55.97 59.03 1hg3 s LYS 5 Cb -0.10 -4.02 1.64 0.00 -0.52 0.00 0.00 37.83 34.82 1hg3 s LYS 5 CO 0.36 -0.89 1.97 0.93 -0.92 0.00 0.00 175.35 176.80 1hg3 h GLU 6 N 9.82 0.00 -0.37 1.68 4.39 -1.95 -3.17 114.58 124.97 1hg3 h GLU 6 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1hg3 h GLU 6 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1hg3 h GLU 6 CO 0.95 0.00 0.00 -2.30 -1.16 0.00 0.00 179.01 176.50 1hg3 n PRO 7 N -3.29 0.38 -1.59 2.33 -0.02 -1.25 -4.25 135.00 127.31 1hg3 n PRO 7 Ca 0.01 0.00 -0.50 0.00 -2.02 0.00 0.00 63.50 61.00 1hg3 n PRO 7 Cb 0.43 -1.19 -0.05 0.00 -0.02 0.00 0.00 33.50 32.68 1hg3 n PRO 7 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1hg3 n ILE 8 N 0.30 0.52 -3.92 4.25 5.41 -0.95 -4.57 119.36 120.40 1hg3 n ILE 8 Ca 0.00 -0.13 -0.31 0.00 1.00 0.00 0.00 62.75 63.31 1hg3 n ILE 8 Cb 0.09 -0.90 -0.15 0.00 -0.71 0.00 0.00 39.64 37.98 1hg3 n ILE 8 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1hg3 s ILE 9 N 0.12 1.67 -0.30 1.39 -1.09 -0.68 0.47 121.20 122.78 1hg3 s ILE 9 Ca 0.77 -1.69 -0.08 0.00 -2.23 0.00 0.00 60.65 57.42 1hg3 s ILE 9 Cb -0.87 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1hg3 s ILE 9 CO 0.49 -0.42 0.10 0.00 -1.23 0.00 0.00 174.94 173.89 1hg3 s ALA 10 N 1.26 3.15 -0.33 9.38 0.00 0.55 0.38 121.76 136.14 1hg3 s ALA 10 Ca 0.04 -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 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 1hg3 s ALA 10 CO -0.11 -0.88 0.38 0.42 0.00 0.00 0.00 175.76 175.56 1hg3 s ILE 11 N 1.55 5.15 -0.49 0.00 1.01 0.17 -1.66 121.20 126.94 1hg3 s ILE 11 Ca 0.04 0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.61 1hg3 s ILE 11 Cb -0.17 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.52 1hg3 s ILE 11 CO 0.04 -0.08 0.67 0.21 0.00 0.00 0.00 174.94 175.78 1hg3 s ASN 12 N 1.73 6.27 0.45 3.58 2.47 0.13 -1.09 114.94 128.48 1hg3 s ASN 12 Ca 0.13 -0.66 0.31 0.00 0.42 0.00 0.00 52.86 53.06 1hg3 s ASN 12 Cb -0.16 -2.32 1.45 0.00 -1.45 0.00 0.00 41.25 38.76 1hg3 s ASN 12 CO 0.12 -0.90 1.93 -0.26 -3.72 0.00 0.00 177.10 174.26 1hg3 h PHE 13 N 9.00 0.00 0.00 0.43 -1.00 -1.72 -3.39 116.94 120.27 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 0.76 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 179.09 1hg3 n LYS 14 N -2.68 0.00 -0.62 1.51 5.02 -1.26 -2.86 118.16 117.27 1hg3 n LYS 14 Ca -0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1hg3 n LYS 14 Cb 0.18 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.22 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 0.35 -1.99 -0.18 5.66 -1.26 -4.46 114.28 112.40 1hg3 n THR 15 Ca 0.00 -0.62 -0.41 0.00 -3.05 0.00 0.00 64.05 59.97 1hg3 n THR 15 Cb 0.00 0.45 -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 -0.54 2.90 0.47 1.09 2.02 -1.14 -4.91 117.35 117.25 1hg3 s TYR 16 Ca 0.12 1.23 0.22 0.00 -0.37 0.00 0.00 57.07 58.27 1hg3 s TYR 16 Cb 0.12 -3.82 1.32 0.00 -0.40 0.00 0.00 41.96 39.18 1hg3 s TYR 16 CO -0.03 -2.42 2.08 0.97 -1.57 0.00 0.00 175.55 174.58 1hg3 h ILE 17 N 3.15 0.83 0.00 2.71 6.09 -1.96 0.48 117.51 128.80 1hg3 h ILE 17 Ca -0.49 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 62.57 1hg3 h ILE 17 Cb 1.23 1.25 0.00 0.00 0.47 0.00 0.00 36.82 39.77 1hg3 h ILE 17 CO 0.68 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 -1.05 2.19 3.07 -1.91 -3.04 114.58 113.85 1hg3 h GLU 18 Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.31 1hg3 h GLU 18 Cb 0.24 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 27.73 1hg3 h GLU 18 CO 0.01 0.00 -0.81 0.00 -1.40 0.00 0.00 179.01 176.81 1hg3 n ALA 19 N -1.94 4.86 -2.41 3.43 0.00 0.14 -4.08 120.51 120.51 1hg3 n ALA 19 Ca 0.02 -3.93 -0.30 0.00 0.00 0.00 0.00 53.44 49.24 1hg3 n ALA 19 Cb 0.33 -0.46 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 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 -4.88 2.46 0.00 0.00 2.01 -1.08 -4.48 115.64 109.68 1hg3 s THR 20 Ca 0.48 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1hg3 s THR 20 Cb 0.40 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.85 1hg3 s THR 20 CO -0.05 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 1hg3 n GLY 21 N 1.18 1.64 0.35 4.40 0.00 -1.26 -0.56 105.19 110.93 1hg3 n GLY 21 Ca -0.17 0.21 0.04 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 0.99 0.00 1.61 1.57 -1.97 0.21 116.57 118.98 1hg3 h LYS 22 Ca 0.00 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1hg3 h LYS 22 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1hg3 h LYS 22 CO 0.00 0.65 -0.41 0.00 -0.57 0.00 0.00 179.45 179.12 1hg3 h ARG 23 N 1.02 0.00 -0.31 3.15 3.08 -1.44 -0.31 114.38 119.56 1hg3 h ARG 23 Ca 0.44 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.40 1hg3 h ARG 23 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1hg3 h ARG 23 CO -0.21 0.41 -0.14 0.00 -1.07 0.00 0.00 179.97 178.96 1hg3 h ALA 24 N 1.59 0.43 -0.76 0.04 0.00 0.16 -2.49 119.26 118.23 1hg3 h ALA 24 Ca -0.00 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1hg3 h ALA 24 Cb 0.75 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1hg3 h ALA 24 CO 0.05 0.32 0.50 1.25 0.00 0.00 0.00 179.25 181.38 1hg3 h LEU 25 N 0.40 0.79 -0.07 0.00 5.85 0.05 -1.64 115.31 120.69 1hg3 h LEU 25 Ca 0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1hg3 h LEU 25 Cb 0.66 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1hg3 h LEU 25 CO 0.04 0.54 0.03 -0.33 -0.34 0.00 0.00 178.44 178.38 1hg3 h GLU 26 N 0.91 0.07 -0.57 1.25 5.08 -0.72 -1.07 114.58 119.53 1hg3 h GLU 26 Ca 0.30 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 1hg3 h GLU 26 Cb 0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1hg3 h GLU 26 CO -0.09 0.04 0.05 0.82 -1.00 0.00 0.00 179.01 178.84 1hg3 h ILE 27 N 0.07 1.25 -0.80 3.13 2.04 -1.03 -1.28 117.51 120.90 1hg3 h ILE 27 Ca 0.03 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1hg3 h ILE 27 Cb 0.01 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1hg3 h ILE 27 CO -0.02 0.37 0.33 0.00 0.00 0.00 0.00 178.15 178.82 1hg3 h ALA 28 N 1.17 1.07 -0.29 1.87 0.00 -1.05 0.13 119.26 122.16 1hg3 h ALA 28 Ca 0.17 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1hg3 h ALA 28 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1hg3 h ALA 28 CO 0.02 0.66 -0.27 0.87 0.00 0.00 0.00 179.25 180.53 1hg3 h LYS 29 N 1.16 0.58 -0.37 0.00 1.57 -0.85 0.88 116.57 119.54 1hg3 h LYS 29 Ca 0.27 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1hg3 h LYS 29 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1hg3 h LYS 29 CO -0.02 0.80 0.15 0.00 -0.57 0.00 0.00 179.45 179.81 1hg3 h ALA 30 N 1.20 0.48 -0.64 3.86 0.00 -0.54 -0.28 119.26 123.34 1hg3 h ALA 30 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1hg3 h ALA 30 Cb 0.73 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1hg3 h ALA 30 CO 0.06 0.08 0.33 0.00 0.00 0.00 0.00 179.25 179.72 1hg3 h ALA 31 N 1.00 0.83 -0.65 0.00 0.00 -0.36 -2.02 119.26 118.05 1hg3 h ALA 31 Ca 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1hg3 h ALA 31 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1hg3 h ALA 31 CO -0.01 0.37 0.19 1.49 0.00 0.00 0.00 179.25 181.29 1hg3 h GLU 32 N 0.88 1.00 0.51 0.00 4.81 -0.54 -1.66 114.58 119.58 1hg3 h GLU 32 Ca 0.22 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1hg3 h GLU 32 Cb 0.08 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.32 1hg3 h GLU 32 CO -0.03 0.86 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.64 1hg3 h LYS 33 N 0.96 -0.66 -0.49 1.92 3.64 -0.59 -0.03 116.57 121.31 1hg3 h LYS 33 Ca 0.21 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.74 1hg3 h LYS 33 Cb 0.29 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1hg3 h LYS 33 CO -0.01 -0.43 0.34 0.28 -2.27 0.00 0.00 179.45 177.36 1hg3 h VAL 34 N -0.71 0.85 -0.15 2.00 2.07 -1.25 -1.58 116.25 117.48 1hg3 h VAL 34 Ca -0.07 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1hg3 h VAL 34 Cb 0.54 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1hg3 h VAL 34 CO 0.12 0.04 -0.11 0.22 0.02 0.00 0.00 177.57 177.85 1hg3 h TYR 35 N 0.20 0.39 -0.58 1.57 3.20 -0.57 -2.80 116.97 118.37 1hg3 h TYR 35 Ca 0.23 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1hg3 h TYR 35 Cb 0.66 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1hg3 h TYR 35 CO -0.00 0.69 0.39 0.87 -1.64 0.00 0.00 178.16 178.47 1hg3 h LYS 36 N -0.02 0.75 -0.86 1.82 1.57 -0.07 0.62 116.57 120.38 1hg3 h LYS 36 Ca 0.03 -0.05 -0.46 0.00 -1.87 0.00 0.00 60.65 58.30 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 0.50 -0.85 -0.57 0.00 0.00 179.45 179.06 1hg3 n GLU 37 N -4.45 2.20 0.00 3.15 0.28 -0.83 -4.55 120.64 116.44 1hg3 n GLU 37 Ca 0.06 -3.08 0.00 0.00 -0.16 0.00 0.00 57.16 53.98 1hg3 n GLU 37 Cb 0.06 -2.11 0.00 0.00 1.43 0.00 0.00 31.44 30.82 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 -1.00 -5.01 114.28 109.94 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 1.49 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 -0.35 1.70 3.74 3.41 0.00 0.18 -5.03 105.19 108.85 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 -2.49 3.75 0.04 1.61 1.01 -1.26 -4.97 120.40 118.09 1hg3 s VAL 40 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 1hg3 s VAL 40 Cb 0.00 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 1hg3 s VAL 40 CO 0.00 0.27 1.74 -0.89 0.00 0.00 0.00 175.10 176.22 1hg3 s THR 41 N -0.27 3.09 -0.28 3.92 2.01 -1.26 -4.66 115.64 118.19 1hg3 s THR 41 Ca 0.50 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.90 1hg3 s THR 41 Cb -0.31 -3.25 0.08 0.00 0.01 0.00 0.00 72.50 69.04 1hg3 s THR 41 CO 0.36 -0.02 0.01 -0.63 -0.69 0.00 0.00 174.62 173.65 1hg3 s ILE 42 N 3.35 1.67 0.03 1.82 -1.09 -1.26 -1.69 121.20 124.02 1hg3 s ILE 42 Ca 0.78 -1.63 -0.17 0.00 -2.23 0.00 0.00 60.65 57.39 1hg3 s ILE 42 Cb -0.40 -2.08 -0.06 0.00 -1.58 0.00 0.00 42.46 38.35 1hg3 s ILE 42 CO 0.34 -0.37 0.49 -0.69 -1.23 0.00 0.00 174.94 173.48 1hg3 s VAL 43 N 1.27 4.90 -0.08 2.92 1.01 0.16 -4.21 120.40 126.38 1hg3 s VAL 43 Ca 0.02 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.08 1hg3 s VAL 43 Cb -0.19 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1hg3 s VAL 43 CO -0.11 0.55 -0.24 -0.69 0.00 0.00 0.00 175.10 174.61 1hg3 s VAL 44 N -0.99 2.04 -0.53 2.92 1.01 -0.71 0.46 120.40 124.60 1hg3 s VAL 44 Ca 0.26 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1hg3 s VAL 44 Cb -0.18 -1.74 0.13 0.00 0.00 0.00 0.00 36.38 34.59 1hg3 s VAL 44 CO 0.16 0.56 0.28 0.00 0.00 0.00 0.00 175.10 176.10 1hg3 s ALA 45 N 0.08 3.34 0.71 5.51 0.00 -0.25 -0.00 121.76 131.16 1hg3 s ALA 45 Ca -0.11 -3.29 -0.11 0.00 0.00 0.00 0.00 51.96 48.45 1hg3 s ALA 45 Cb -0.16 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.78 1hg3 s ALA 45 CO 0.06 -2.03 1.10 -2.14 0.00 0.00 0.00 175.76 172.75 1hg3 s PRO 46 N -0.30 2.81 0.34 0.00 0.02 -1.22 -2.10 135.00 134.55 1hg3 s PRO 46 Ca 0.17 0.49 -0.29 0.00 0.02 0.00 0.00 61.00 61.40 1hg3 s PRO 46 Cb -0.25 -2.01 -0.11 0.00 0.02 0.00 0.00 34.50 32.15 1hg3 s PRO 46 CO -0.01 -1.08 1.43 -0.65 -0.33 0.00 0.00 177.00 176.36 1hg3 s GLN 47 N -5.33 4.21 0.30 5.54 -0.21 -1.26 -4.25 119.66 118.65 1hg3 s GLN 47 Ca 0.58 2.42 0.05 0.00 0.02 0.00 0.00 55.36 58.43 1hg3 s GLN 47 Cb -0.11 -3.02 0.79 0.00 1.00 0.00 0.00 33.01 31.66 1hg3 s GLN 47 CO 0.52 -0.41 1.66 1.25 -2.12 0.00 0.00 175.29 176.19 1hg3 h LEU 48 N 3.45 0.17 -0.42 2.90 5.85 -1.94 0.43 115.31 125.75 1hg3 h LEU 48 Ca -0.49 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1hg3 h LEU 48 Cb 1.23 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1hg3 h LEU 48 CO 0.67 -0.12 0.00 0.55 -0.34 0.00 0.00 178.44 179.20 1hg3 n VAL 49 N -5.16 1.54 0.13 1.05 3.14 -1.26 -1.86 118.33 115.91 1hg3 n VAL 49 Ca 0.24 0.51 0.01 0.00 -2.96 0.00 0.00 64.34 62.14 1hg3 n VAL 49 Cb 0.74 -1.47 -0.01 0.00 -1.06 0.00 0.00 33.84 32.04 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 -1.74 0.46 -0.10 6.55 8.00 0.14 -4.83 116.55 125.03 1hg3 n ASP 50 Ca 0.00 -0.73 -0.06 0.00 0.71 0.00 0.00 54.79 54.72 1hg3 n ASP 50 Cb 0.05 0.71 0.01 0.00 -0.02 0.00 0.00 41.12 41.87 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 0.18 -0.48 0.14 0.64 6.46 -0.61 -2.03 115.31 119.61 1hg3 h LEU 51 Ca 0.00 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1hg3 h LEU 51 Cb 0.09 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1hg3 h LEU 51 CO 0.00 -0.17 -0.13 -0.09 -0.62 0.00 0.00 178.44 177.43 1hg3 h ARG 52 N -0.07 -0.28 -0.55 1.25 2.43 -1.79 0.15 114.38 115.53 1hg3 h ARG 52 Ca 0.18 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1hg3 h ARG 52 Cb 0.34 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.87 1hg3 h ARG 52 CO -0.41 -0.19 0.06 1.98 -1.51 0.00 0.00 179.97 179.90 1hg3 h MET 53 N -0.29 0.17 -0.37 0.20 4.05 -1.84 0.80 114.93 117.65 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 0.28 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1hg3 h MET 53 CO -0.03 0.12 0.06 0.82 0.23 0.00 0.00 176.91 178.10 1hg3 h ILE 54 N 0.18 1.24 -0.04 1.77 2.04 -1.07 -2.84 117.51 118.80 1hg3 h ILE 54 Ca 0.28 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1hg3 h ILE 54 Cb 0.42 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1hg3 h ILE 54 CO -0.41 0.29 -0.16 0.00 0.00 0.00 0.00 178.15 177.87 1hg3 h ALA 55 N 0.91 1.67 0.00 1.87 0.00 0.01 -2.60 119.26 121.11 1hg3 h ALA 55 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hg3 h ALA 55 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1hg3 h ALA 55 CO 0.01 0.25 -0.08 0.39 0.00 0.00 0.00 179.25 179.81 1hg3 n GLU 56 N -4.32 0.09 -0.13 0.00 1.02 0.21 -3.90 120.64 113.61 1hg3 n GLU 56 Ca -0.02 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.25 1hg3 n GLU 56 Cb 0.24 -1.60 0.09 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.75 1.79 -3.77 1.62 3.41 -1.00 -5.04 113.62 108.88 1hg3 n SER 57 Ca 0.06 -2.64 -0.13 0.00 -0.26 0.00 0.00 58.87 55.91 1hg3 n SER 57 Cb 0.37 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.07 -3.33 1.01 -1.08 -4.95 120.40 110.18 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 -0.47 -0.25 0.00 0.00 0.00 0.00 36.38 35.84 1hg3 s VAL 58 CO 0.02 -0.09 1.11 -0.33 0.00 0.00 0.00 175.10 175.81 1hg3 h GLU 59 N 5.14 0.12 -7.24 2.72 5.08 -1.90 -3.45 114.58 115.05 1hg3 h GLU 59 Ca -0.27 -0.21 -0.53 0.00 -1.00 0.00 0.00 59.36 57.35 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 1.04 0.28 0.96 -1.00 0.00 0.00 179.01 180.64 1hg3 s ILE 60 N -2.67 2.14 0.25 3.13 -4.36 -1.26 -4.92 121.20 113.50 1hg3 s ILE 60 Ca -0.03 0.05 -0.31 0.00 -0.26 0.00 0.00 60.65 60.10 1hg3 s ILE 60 Cb 0.08 -2.28 -0.12 0.00 1.25 0.00 0.00 42.46 41.40 1hg3 s ILE 60 CO 0.85 -0.05 1.67 -2.84 0.24 0.00 0.00 174.94 174.80 1hg3 s PRO 61 N -4.42 4.12 -0.23 0.37 0.02 -1.26 -4.92 135.00 128.68 1hg3 s PRO 61 Ca 0.69 2.60 -0.02 0.00 0.02 0.00 0.00 61.00 64.29 1hg3 s PRO 61 Cb -0.25 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.23 1hg3 s PRO 61 CO 0.54 -0.70 -0.07 0.08 -0.33 0.00 0.00 177.00 176.52 1hg3 s VAL 62 N 0.66 2.98 0.04 3.83 1.01 -1.26 -1.74 120.40 125.92 1hg3 s VAL 62 Ca 0.70 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1hg3 s VAL 62 Cb -0.49 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1hg3 s VAL 62 CO 0.39 0.32 0.11 -0.36 0.00 0.00 0.00 175.10 175.56 1hg3 s PHE 63 N 1.38 3.31 0.63 5.22 0.40 0.99 -0.98 117.98 128.93 1hg3 s PHE 63 Ca 0.03 0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.45 1hg3 s PHE 63 Cb -0.15 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1hg3 s PHE 63 CO -0.05 0.55 0.99 0.00 0.70 0.00 0.00 175.22 177.41 1hg3 s ALA 64 N -1.33 3.12 -0.76 5.36 0.00 -0.29 -3.38 121.76 124.48 1hg3 s ALA 64 Ca 0.28 -0.45 0.24 0.00 0.00 0.00 0.00 51.96 52.03 1hg3 s ALA 64 Cb -0.12 -2.84 0.37 0.00 0.00 0.00 0.00 23.12 20.53 1hg3 s ALA 64 CO 0.20 -0.88 1.32 1.04 0.00 0.00 0.00 175.76 177.43 1hg3 n GLN 65 N -2.75 0.20 -3.64 0.00 6.02 -1.26 -1.01 117.38 114.93 1hg3 n GLN 65 Ca 0.05 0.05 -0.03 0.00 -0.01 0.00 0.00 57.00 57.06 1hg3 n GLN 65 Cb 0.57 -1.61 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 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 -3.12 -0.06 0.03 1.08 5.04 -1.22 -4.28 115.29 112.75 1hg3 s HIS 66 Ca 0.07 0.10 -0.05 0.00 -1.54 0.00 0.00 55.06 53.64 1hg3 s HIS 66 Cb 0.15 0.49 -0.01 0.00 0.04 0.00 0.00 32.58 33.25 1hg3 s HIS 66 CO 0.72 -0.06 0.09 0.96 -2.34 0.00 0.00 174.74 174.11 1hg3 s ILE 67 N -1.17 0.12 0.18 0.89 -4.36 -1.26 -4.95 121.20 110.65 1hg3 s ILE 67 Ca 0.08 -0.97 0.03 0.00 -0.26 0.00 0.00 60.65 59.53 1hg3 s ILE 67 Cb -0.01 -0.69 -0.03 0.00 1.25 0.00 0.00 42.46 42.98 1hg3 s ILE 67 CO -0.07 -0.54 0.31 -1.81 0.24 0.00 0.00 174.94 173.08 1hg3 s ASP 68 N -1.84 6.33 0.00 4.36 1.01 -0.90 -4.97 116.67 120.66 1hg3 s ASP 68 Ca -0.09 0.15 -0.05 0.00 0.71 0.00 0.00 52.55 53.27 1hg3 s ASP 68 Cb -0.04 -1.90 -0.21 0.00 1.01 0.00 0.00 42.92 41.78 1hg3 s ASP 68 CO -0.02 0.01 3.12 -2.65 0.21 0.00 0.00 175.17 175.83 1hg3 n PRO 69 N -0.84 1.68 -4.22 8.23 -0.02 -1.26 -4.53 135.00 134.04 1hg3 n PRO 69 Ca -0.08 -0.77 -0.23 0.00 -2.02 0.00 0.00 63.50 60.41 1hg3 n PRO 69 Cb 0.55 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 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 1.00 3.73 0.26 4.25 -4.36 -1.26 -4.90 121.20 119.91 1hg3 s ILE 70 Ca 0.51 -1.73 0.08 0.00 -0.26 0.00 0.00 60.65 59.25 1hg3 s ILE 70 Cb 0.25 -3.03 -0.04 0.00 1.25 0.00 0.00 42.46 40.88 1hg3 s ILE 70 CO 0.00 -0.35 0.11 -0.54 0.24 0.00 0.00 174.94 174.40 1hg3 s LYS 71 N -3.74 2.64 0.24 0.37 -0.14 -1.26 -4.54 119.74 113.30 1hg3 s LYS 71 Ca 0.32 -1.23 -0.31 0.00 -1.36 0.00 0.00 55.97 53.40 1hg3 s LYS 71 Cb -0.07 -2.38 -0.14 0.00 -1.68 0.00 0.00 37.83 33.57 1hg3 s LYS 71 CO 0.22 0.38 1.34 -2.30 -0.76 0.00 0.00 175.35 174.22 1hg3 n PRO 72 N -1.06 1.86 0.00 -1.68 -0.02 -1.26 -4.76 135.00 128.08 1hg3 n PRO 72 Ca -0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 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 1.98 -0.44 3.39 -1.23 0.00 -1.26 -5.05 105.19 102.57 1hg3 n GLY 73 Ca 0.12 -0.49 -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 6.91 -0.39 1.61 0.01 -1.26 -4.84 113.70 111.74 1hg3 s SER 74 Ca 0.00 -2.77 0.09 0.00 1.31 0.00 0.00 55.95 54.58 1hg3 s SER 74 Cb 0.00 -2.30 0.27 0.00 0.21 0.00 0.00 66.02 64.20 1hg3 s SER 74 CO 0.00 -0.68 0.57 1.41 0.41 0.00 0.00 173.24 174.95 1hg3 n HIS 75 N 4.75 -0.30 -1.64 2.43 -0.00 -1.26 -5.11 115.22 114.09 1hg3 n HIS 75 Ca 0.23 -3.59 -0.49 0.00 -0.00 0.00 0.00 57.72 53.88 1hg3 n HIS 75 Cb 0.45 -0.33 -0.05 0.00 -0.00 0.00 0.00 29.99 30.06 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 1.16 0.02 -0.87 1.59 -1.04 -1.26 -1.47 114.28 112.41 1hg3 n THR 76 Ca 0.22 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1hg3 n THR 76 Cb 0.56 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 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 3.06 0.99 3.94 3.41 0.00 -1.26 -5.02 105.19 110.30 1hg3 n GLY 77 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.53 3.50 -0.52 1.61 4.02 -0.54 -5.05 115.29 114.78 1hg3 s HIS 78 Ca 0.00 0.40 -0.21 0.00 1.02 0.00 0.00 55.06 56.27 1hg3 s HIS 78 Cb 0.00 -1.93 0.05 0.00 -1.02 0.00 0.00 32.58 29.68 1hg3 s HIS 78 CO 0.00 0.13 0.71 0.08 1.02 0.00 0.00 174.74 176.68 1hg3 s VAL 79 N -2.28 4.74 -0.14 -0.90 1.01 -1.26 -5.01 120.40 116.56 1hg3 s VAL 79 Ca 0.41 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1hg3 s VAL 79 Cb -0.10 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1hg3 s VAL 79 CO 0.35 -0.89 1.17 -0.22 0.00 0.00 0.00 175.10 175.51 1hg3 s LEU 80 N 3.00 4.20 0.17 3.92 2.96 -1.26 -2.13 118.68 129.55 1hg3 s LEU 80 Ca 0.19 1.66 -0.16 0.00 -0.22 0.00 0.00 54.13 55.60 1hg3 s LEU 80 Cb -0.17 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 43.09 1hg3 s LEU 80 CO 0.14 -0.65 1.68 -0.65 -1.32 0.00 0.00 176.35 175.55 1hg3 h PRO 81 N 7.70 0.06 0.00 0.98 0.11 -1.80 -1.45 132.00 137.60 1hg3 h PRO 81 Ca -0.28 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 1hg3 h PRO 81 Cb 1.12 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1hg3 h PRO 81 CO 0.93 0.04 -0.22 1.05 -0.21 0.00 0.00 178.00 179.59 1hg3 h GLU 82 N 0.06 0.00 -0.28 1.05 9.09 -1.93 -0.88 114.58 121.69 1hg3 h GLU 82 Ca 0.21 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.58 1hg3 h GLU 82 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 1hg3 h GLU 82 CO -0.38 0.22 0.03 0.00 0.05 0.00 0.00 179.01 178.92 1hg3 h ALA 83 N 1.78 0.38 -0.55 1.06 0.00 -1.70 0.19 119.26 120.43 1hg3 h ALA 83 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1hg3 h ALA 83 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1hg3 h ALA 83 CO 0.03 0.09 0.17 0.28 0.00 0.00 0.00 179.25 179.81 1hg3 h VAL 84 N 0.29 1.22 -0.04 0.00 2.07 -0.90 -1.88 116.25 117.00 1hg3 h VAL 84 Ca 0.08 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1hg3 h VAL 84 Cb 0.37 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1hg3 h VAL 84 CO 0.01 0.28 -0.01 0.50 0.02 0.00 0.00 177.57 178.38 1hg3 h LYS 85 N 0.79 0.07 0.00 1.57 1.63 -0.74 -2.87 116.57 117.03 1hg3 h LYS 85 Ca 0.18 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1hg3 h LYS 85 Cb 0.24 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1hg3 h LYS 85 CO -0.01 0.40 -0.10 1.49 -3.45 0.00 0.00 179.45 177.78 1hg3 h GLU 86 N -0.26 0.00 0.00 1.90 4.81 -0.44 -1.45 114.58 119.14 1hg3 h GLU 86 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 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 0.10 0.00 0.00 -0.73 0.00 0.00 179.01 178.38 1hg3 n ALA 87 N -2.33 1.97 0.00 2.92 0.00 -0.73 -4.90 120.51 117.45 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 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 0.43 0.56 3.75 0.00 0.00 -0.55 -4.15 105.19 105.24 1hg3 n GLY 88 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 2.38 -0.07 4.61 0.00 -1.13 -4.74 121.76 120.81 1hg3 s ALA 89 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1hg3 s ALA 89 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1hg3 s ALA 89 CO 0.00 -1.42 0.62 1.33 0.00 0.00 0.00 175.76 176.29 1hg3 n VAL 90 N -2.30 0.21 -3.87 0.00 0.24 -0.16 -4.73 118.33 107.73 1hg3 n VAL 90 Ca 0.12 -0.61 -0.03 0.00 -2.04 0.00 0.00 64.34 61.79 1hg3 n VAL 90 Cb 0.51 0.90 0.02 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.07 0.63 3.43 7.63 0.00 -1.24 -1.43 105.19 114.13 1hg3 n GLY 91 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.09 0.02 0.36 2.61 -1.32 0.35 -1.13 115.64 114.42 1hg3 s THR 92 Ca 0.22 -0.14 -0.12 0.00 -1.21 0.00 0.00 61.69 60.44 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 -0.08 0.73 -0.76 -2.21 0.00 0.00 174.62 172.35 1hg3 s LEU 93 N -0.87 3.95 0.00 9.08 1.43 -0.18 -1.41 118.68 130.68 1hg3 s LEU 93 Ca -0.09 1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 54.07 1hg3 s LEU 93 Cb -0.03 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1hg3 s LEU 93 CO 0.06 -0.30 0.17 -0.76 0.23 0.00 0.00 176.35 175.75 1hg3 s LEU 94 N -3.45 1.44 -1.47 1.79 1.43 -0.35 -3.42 118.68 114.65 1hg3 s LEU 94 Ca 0.52 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1hg3 s LEU 94 Cb -0.10 0.78 0.06 0.00 0.03 0.00 0.00 46.19 46.96 1hg3 s LEU 94 CO 0.26 -0.40 0.82 -3.20 0.23 0.00 0.00 176.35 174.05 1hg3 n ASN 95 N 1.35 -4.99 -4.77 2.29 5.15 -1.26 -0.17 115.26 112.87 1hg3 n ASN 95 Ca -0.22 -0.57 -0.36 0.00 -0.60 0.00 0.00 54.58 52.83 1hg3 n ASN 95 Cb 0.56 -4.01 0.01 0.00 -0.53 0.00 0.00 39.78 35.81 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 -3.19 2.59 0.45 1.20 5.65 -1.25 -4.14 115.29 116.59 1hg3 s HIS 96 Ca 0.53 1.53 0.27 0.00 0.25 0.00 0.00 55.06 57.63 1hg3 s HIS 96 Cb -0.26 -3.37 1.31 0.00 -1.18 0.00 0.00 32.58 29.07 1hg3 s HIS 96 CO 0.65 -1.81 1.74 1.03 -0.65 0.00 0.00 174.74 175.71 1hg3 h SER 97 N 1.18 0.27 -0.07 9.88 0.87 -1.92 0.58 113.55 124.35 1hg3 h SER 97 Ca -0.50 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1hg3 h SER 97 Cb 1.27 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1hg3 h SER 97 CO 0.57 0.01 0.00 -0.62 -0.53 0.00 0.00 176.83 176.25 1hg3 n GLU 98 N -4.50 1.51 -2.78 2.24 1.02 -1.26 -4.17 120.64 112.70 1hg3 n GLU 98 Ca 0.28 -0.76 -0.10 0.00 -0.02 0.00 0.00 57.16 56.57 1hg3 n GLU 98 Cb 1.12 -1.42 0.08 0.00 -0.02 0.00 0.00 31.44 31.19 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 -0.05 -1.40 -4.76 1.62 5.15 0.20 -5.13 115.26 110.88 1hg3 n ASN 99 Ca 0.18 -3.15 -0.40 0.00 -0.60 0.00 0.00 54.58 50.61 1hg3 n ASN 99 Cb 0.27 1.07 0.02 0.00 -0.53 0.00 0.00 39.78 40.61 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 -0.46 3.61 0.30 1.20 0.52 -0.85 -3.89 118.95 119.38 1hg3 s ARG 100 Ca 0.25 2.38 0.08 0.00 -0.52 0.00 0.00 55.73 57.92 1hg3 s ARG 100 Cb 0.35 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 1hg3 s ARG 100 CO -0.06 -0.87 0.15 -1.64 0.02 0.00 0.00 175.30 172.91 1hg3 s MET 101 N -2.52 2.55 -0.05 3.54 -1.94 -1.26 -4.98 119.30 114.64 1hg3 s MET 101 Ca 0.62 -1.35 -0.28 0.00 -1.71 0.00 0.00 55.69 52.97 1hg3 s MET 101 Cb -0.43 -2.32 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1hg3 s MET 101 CO 0.55 0.23 0.92 0.42 -0.01 0.00 0.00 175.02 177.13 1hg3 s ILE 102 N -2.31 4.88 0.19 2.53 1.01 -1.26 -4.89 121.20 121.35 1hg3 s ILE 102 Ca 0.36 1.91 -0.11 0.00 0.00 0.00 0.00 60.65 62.81 1hg3 s ILE 102 Cb -0.05 -4.25 0.25 0.00 0.01 0.00 0.00 42.46 38.41 1hg3 s ILE 102 CO 0.23 0.13 1.18 -0.11 0.00 0.00 0.00 174.94 176.38 1hg3 n LEU 103 N 4.23 -0.41 -0.32 2.97 7.94 -1.26 0.38 117.00 130.53 1hg3 n LEU 103 Ca 0.05 1.32 -0.04 0.00 -1.11 0.00 0.00 56.01 56.23 1hg3 n LEU 103 Cb 0.50 -0.34 0.08 0.00 0.53 0.00 0.00 43.42 44.20 1hg3 n LEU 103 CO 0.51 -1.21 1.23 0.00 -1.11 0.00 0.00 177.39 176.81 1hg3 h ALA 104 N 1.23 1.09 -0.52 1.96 0.00 -2.01 -2.38 119.26 118.63 1hg3 h ALA 104 Ca 0.30 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1hg3 h ALA 104 Cb 0.49 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1hg3 h ALA 104 CO -0.76 0.50 0.03 -0.44 0.00 0.00 0.00 179.25 178.57 1hg3 h ASP 105 N 1.17 0.82 0.13 0.00 3.32 -0.46 -2.41 116.42 118.99 1hg3 h ASP 105 Ca 0.31 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1hg3 h ASP 105 Cb -0.13 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.20 1hg3 h ASP 105 CO -0.07 0.87 -0.06 0.25 -1.72 0.00 0.00 179.24 178.51 1hg3 h LEU 106 N 0.80 -0.15 -0.89 1.55 6.46 -0.76 0.28 115.31 122.60 1hg3 h LEU 106 Ca 0.16 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1hg3 h LEU 106 Cb 0.44 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1hg3 h LEU 106 CO 0.02 -0.09 -0.29 1.05 -0.62 0.00 0.00 178.44 178.50 1hg3 h GLU 107 N -0.20 0.00 -0.21 1.25 -0.00 -1.47 -1.13 114.58 112.83 1hg3 h GLU 107 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.14 1hg3 h GLU 107 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.91 1hg3 h GLU 107 CO 0.03 0.29 -0.65 0.00 -0.00 0.00 0.00 179.01 178.68 1hg3 h ALA 108 N 1.71 0.45 -0.56 1.06 0.00 -1.12 -1.96 119.26 118.84 1hg3 h ALA 108 Ca -0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1hg3 h ALA 108 Cb 0.87 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1hg3 h ALA 108 CO 0.04 0.69 0.01 0.00 0.00 0.00 0.00 179.25 179.99 1hg3 h ALA 109 N 0.70 0.96 -0.18 0.00 0.00 -0.11 0.28 119.26 120.91 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 1.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1hg3 h ALA 109 CO 0.13 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.89 1hg3 h ILE 110 N 0.89 1.19 -0.24 0.00 2.04 -1.12 0.16 117.51 120.42 1hg3 h ILE 110 Ca 0.17 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1hg3 h ILE 110 Cb 0.50 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1hg3 h ILE 110 CO 0.02 0.18 0.16 0.03 0.00 0.00 0.00 178.15 178.54 1hg3 h ARG 111 N 0.11 0.32 -0.89 2.37 2.47 -1.13 -1.79 114.38 115.84 1hg3 h ARG 111 Ca 0.06 -0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.87 1hg3 h ARG 111 Cb 0.23 -0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.39 1hg3 h ARG 111 CO -0.00 0.22 0.52 -0.09 0.56 0.00 0.00 179.97 181.18 1hg3 h ARG 112 N 0.33 0.80 -0.06 0.04 9.65 -0.19 -0.74 114.38 124.21 1hg3 h ARG 112 Ca 0.09 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.83 1hg3 h ARG 112 Cb -0.03 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.36 1hg3 h ARG 112 CO -0.02 0.53 -0.39 0.00 2.80 0.00 0.00 179.97 182.89 1hg3 h ALA 113 N 1.51 1.24 -0.13 2.80 0.00 -0.08 -2.75 119.26 121.85 1hg3 h ALA 113 Ca 0.45 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1hg3 h ALA 113 Cb 0.49 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1hg3 h ALA 113 CO -0.28 0.54 -0.13 0.93 0.00 0.00 0.00 179.25 180.30 1hg3 h GLU 114 N 0.10 0.32 -0.96 0.00 5.08 -0.35 0.75 114.58 119.54 1hg3 h GLU 114 Ca 0.01 -0.17 0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1hg3 h GLU 114 Cb 0.74 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.92 1hg3 h GLU 114 CO 0.06 0.72 0.61 0.93 -1.00 0.00 0.00 179.01 180.32 1hg3 h GLU 115 N -0.06 0.84 -0.00 2.33 5.08 -1.18 0.03 114.58 121.61 1hg3 h GLU 115 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1hg3 h GLU 115 Cb 0.66 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1hg3 h GLU 115 CO 0.03 0.56 -0.40 0.28 -1.00 0.00 0.00 179.01 178.48 1hg3 n VAL 116 N -4.60 0.00 -2.02 3.13 0.31 -1.05 -4.98 118.33 109.13 1hg3 n VAL 116 Ca 0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1hg3 n VAL 116 Cb 0.40 0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 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 1.47 0.58 3.58 2.92 0.00 -0.00 -4.98 105.19 108.75 1hg3 n GLY 117 Ca 0.07 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.23 3.49 0.69 0.99 1.43 0.24 -4.83 118.68 120.46 1hg3 s LEU 118 Ca 0.00 0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1hg3 s LEU 118 Cb 0.00 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1hg3 s LEU 118 CO 0.00 0.23 1.13 -0.04 0.23 0.00 0.00 176.35 177.90 1hg3 s MET 119 N 0.03 2.58 -0.09 1.70 -1.94 -0.52 -4.26 119.30 116.79 1hg3 s MET 119 Ca 0.02 1.46 0.04 0.00 -1.71 0.00 0.00 55.69 55.50 1hg3 s MET 119 Cb -0.13 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.80 1hg3 s MET 119 CO 0.02 -1.44 -0.22 0.95 -0.01 0.00 0.00 175.02 174.32 1hg3 s THR 120 N -2.30 1.93 -0.41 2.05 -4.23 -1.26 -0.50 115.64 110.92 1hg3 s THR 120 Ca 0.68 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 60.27 1hg3 s THR 120 Cb -0.22 -1.68 0.12 0.00 1.34 0.00 0.00 72.50 72.06 1hg3 s THR 120 CO 0.44 0.53 0.16 -0.32 -0.54 0.00 0.00 174.62 174.89 1hg3 s MET 121 N 0.37 1.41 -0.13 3.99 0.00 -0.50 -0.78 119.30 123.65 1hg3 s MET 121 Ca -0.18 -1.94 -0.19 0.00 0.00 0.00 0.00 55.69 53.37 1hg3 s MET 121 Cb -0.18 -2.77 -0.04 0.00 0.00 0.00 0.00 34.83 31.84 1hg3 s MET 121 CO 0.08 -1.05 0.54 0.08 0.00 0.00 0.00 175.02 174.67 1hg3 s VAL 122 N 0.60 5.13 0.34 10.11 1.01 0.79 -1.21 120.40 137.17 1hg3 s VAL 122 Ca 0.14 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 63.02 1hg3 s VAL 122 Cb -0.22 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1hg3 s VAL 122 CO -0.07 0.26 0.78 0.00 0.00 0.00 0.00 175.10 176.07 1hg3 s SER 124 N -2.21 1.08 -0.01 0.00 1.04 0.34 -4.72 113.70 109.22 1hg3 s SER 124 Ca 0.55 -0.80 0.17 0.00 0.48 0.00 0.00 55.95 56.35 1hg3 s SER 124 Cb -0.10 0.06 -0.21 0.00 0.10 0.00 0.00 66.02 65.86 1hg3 s SER 124 CO 0.17 -0.34 0.62 -0.46 0.98 0.00 0.00 173.24 174.21 1hg3 n ASN 125 N 0.62 0.85 -3.84 7.02 6.94 -1.26 -1.34 115.26 124.25 1hg3 n ASN 125 Ca -0.17 -0.62 -0.07 0.00 -0.02 0.00 0.00 54.58 53.71 1hg3 n ASN 125 Cb 0.58 1.26 -0.02 0.00 -2.36 0.00 0.00 39.78 39.24 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 -3.07 -0.26 0.16 0.53 6.03 -1.26 -4.35 114.94 112.71 1hg3 s ASN 126 Ca 0.02 -0.58 -0.19 0.00 -1.03 0.00 0.00 52.86 51.08 1hg3 s ASN 126 Cb 0.12 0.71 0.06 0.00 -3.03 0.00 0.00 41.25 39.11 1hg3 s ASN 126 CO 0.72 -1.30 1.66 -0.65 -2.03 0.00 0.00 177.10 175.49 1hg3 h PRO 127 N 2.00 -0.09 -0.33 3.55 0.11 -1.94 0.84 132.00 136.14 1hg3 h PRO 127 Ca -0.20 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.98 1hg3 h PRO 127 Cb 1.25 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 1hg3 h PRO 127 CO 0.23 -0.06 0.01 0.00 -0.21 0.00 0.00 178.00 177.98 1hg3 h ALA 128 N 1.18 0.30 -0.45 -0.75 0.00 -1.98 0.90 119.26 118.47 1hg3 h ALA 128 Ca 0.17 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1hg3 h ALA 128 Cb 0.34 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1hg3 h ALA 128 CO -0.39 -0.39 0.08 0.28 0.00 0.00 0.00 179.25 178.83 1hg3 h VAL 129 N 0.11 1.21 -0.70 0.00 2.07 -1.89 -1.35 116.25 115.70 1hg3 h VAL 129 Ca 0.16 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1hg3 h VAL 129 Cb 0.21 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1hg3 h VAL 129 CO -0.26 0.28 0.39 0.28 0.02 0.00 0.00 177.57 178.28 1hg3 h SER 130 N 0.67 0.86 -0.33 0.57 0.02 0.65 0.86 113.55 116.84 1hg3 h SER 130 Ca 0.15 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1hg3 h SER 130 Cb 0.30 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1hg3 h SER 130 CO 0.00 0.68 -0.11 0.00 -1.14 0.00 0.00 176.83 176.26 1hg3 h ALA 131 N 1.46 0.46 -0.69 3.77 0.00 0.03 -1.69 119.26 122.59 1hg3 h ALA 131 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1hg3 h ALA 131 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1hg3 h ALA 131 CO -0.04 0.33 0.41 0.00 0.00 0.00 0.00 179.25 179.95 1hg3 h ALA 132 N 0.79 0.88 -0.70 0.00 0.00 -0.55 -1.92 119.26 117.76 1hg3 h ALA 132 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1hg3 h ALA 132 Cb 0.63 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1hg3 h ALA 132 CO 0.04 0.36 0.28 0.28 0.00 0.00 0.00 179.25 180.21 1hg3 h VAL 133 N 0.94 1.24 -0.89 0.00 2.07 -0.76 -2.61 116.25 116.23 1hg3 h VAL 133 Ca 0.25 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1hg3 h VAL 133 Cb -0.02 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1hg3 h VAL 133 CO -0.05 0.30 0.49 0.00 0.02 0.00 0.00 177.57 178.33 1hg3 h ALA 134 N 1.31 1.18 0.00 1.67 0.00 -0.57 -1.46 119.26 121.39 1hg3 h ALA 134 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hg3 h ALA 134 Cb 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1hg3 h ALA 134 CO -0.02 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1hg3 n ALA 135 N -2.41 1.36 1.49 0.00 0.00 -0.83 -0.38 120.51 119.74 1hg3 n ALA 135 Ca 0.09 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1hg3 n ALA 135 Cb 0.10 -1.36 0.59 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.26 0.79 -3.54 0.00 4.77 -0.55 -4.98 117.00 111.23 1hg3 n LEU 136 Ca 0.00 -0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.60 1hg3 n LEU 136 Cb 0.14 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1hg3 n LEU 136 CO 0.15 0.14 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.14 1hg3 n ASN 137 N -0.59 -3.20 -4.44 -1.43 5.15 0.49 -4.96 115.26 106.28 1hg3 n ASN 137 Ca 0.17 -0.78 -0.28 0.00 -0.60 0.00 0.00 54.58 53.09 1hg3 n ASN 137 Cb 0.29 -4.44 0.14 0.00 -0.53 0.00 0.00 39.78 35.24 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 -5.49 1.22 -0.06 1.20 0.02 -1.26 -5.00 135.00 125.63 1hg3 s PRO 138 Ca 0.17 -0.53 -0.26 0.00 0.02 0.00 0.00 61.00 60.40 1hg3 s PRO 138 Cb -0.04 -2.03 -0.23 0.00 0.02 0.00 0.00 34.50 32.22 1hg3 s PRO 138 CO 0.79 -1.94 1.03 -0.44 -0.33 0.00 0.00 177.00 176.11 1hg3 h ASP 139 N -1.16 0.12 -4.60 2.53 3.32 -1.85 -3.42 116.42 111.36 1hg3 h ASP 139 Ca -0.42 -0.76 -0.34 0.00 0.02 0.00 0.00 57.03 55.53 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 0.44 0.86 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.76 1hg3 s TYR 140 N -3.20 0.96 -0.11 4.55 1.51 0.04 -2.05 117.35 119.05 1hg3 s TYR 140 Ca -0.17 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.43 1hg3 s TYR 140 Cb 0.00 -0.55 0.01 0.00 -0.11 0.00 0.00 41.96 41.31 1hg3 s TYR 140 CO 0.71 -0.01 -0.19 0.54 -1.11 0.00 0.00 175.55 175.49 1hg3 s VAL 141 N -1.42 1.77 -0.31 0.71 0.11 0.05 -0.15 120.40 121.16 1hg3 s VAL 141 Ca -0.05 -0.83 -0.04 0.00 -2.93 0.00 0.00 61.98 58.13 1hg3 s VAL 141 Cb -0.09 -1.57 0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1hg3 s VAL 141 CO 0.01 0.50 0.05 0.00 -3.33 0.00 0.00 175.10 172.33 1hg3 s ALA 142 N 0.71 2.94 -0.18 1.54 0.00 0.13 -1.44 121.76 125.45 1hg3 s ALA 142 Ca -0.11 -1.70 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 1hg3 s ALA 142 Cb -0.16 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1hg3 s ALA 142 CO 0.02 -1.24 1.01 0.08 0.00 0.00 0.00 175.76 175.63 1hg3 s VAL 143 N 1.35 4.73 -0.23 0.00 1.01 -0.59 -0.50 120.40 126.17 1hg3 s VAL 143 Ca -0.02 1.99 -0.04 0.00 0.00 0.00 0.00 61.98 63.91 1hg3 s VAL 143 Cb -0.19 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 31.99 1hg3 s VAL 143 CO 0.01 -0.10 0.18 -1.61 0.00 0.00 0.00 175.10 173.58 1hg3 s GLU 144 N 2.71 0.18 0.04 2.72 2.02 -0.45 -0.64 118.70 125.29 1hg3 s GLU 144 Ca 0.45 -0.07 -0.30 0.00 0.02 0.00 0.00 54.97 55.06 1hg3 s GLU 144 Cb -0.16 -1.26 -0.09 0.00 0.10 0.00 0.00 34.13 32.72 1hg3 s GLU 144 CO 0.11 -0.79 1.88 -2.14 0.02 0.00 0.00 175.26 174.33 1hg3 s PRO 145 N 2.24 4.15 0.42 0.39 0.02 -1.26 -4.49 135.00 136.46 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 -0.16 -4.00 0.91 0.00 0.02 0.00 0.00 34.50 31.27 1hg3 s PRO 145 CO -0.20 -0.91 2.03 -1.35 -0.33 0.00 0.00 177.00 176.25 1hg3 h PRO 146 N 9.96 0.50 0.00 5.54 0.11 -1.93 -2.08 132.00 144.09 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 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hg3 h PRO 146 CO 0.94 0.33 0.00 0.39 -0.21 0.00 0.00 178.00 179.45 1hg3 n GLU 147 N -4.47 0.03 -0.00 1.05 4.71 -1.26 -2.25 120.64 118.45 1hg3 n GLU 147 Ca 0.06 0.37 0.04 0.00 -0.01 0.00 0.00 57.16 57.62 1hg3 n GLU 147 Cb 0.17 -1.58 -0.06 0.00 -1.01 0.00 0.00 31.44 28.96 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 -1.64 0.24 -0.36 -4.62 4.77 -0.80 -4.75 117.00 109.84 1hg3 n LEU 148 Ca 0.02 -0.29 0.29 0.00 -0.03 0.00 0.00 56.01 56.00 1hg3 n LEU 148 Cb 0.12 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.66 1hg3 n LEU 148 CO 0.10 0.06 0.90 -0.38 -1.33 0.00 0.00 177.39 176.74 1hg3 n ILE 149 N -1.46 0.00 -1.05 -0.08 2.08 -0.95 -2.13 119.36 115.76 1hg3 n ILE 149 Ca 0.00 0.90 0.00 0.00 0.56 0.00 0.00 62.75 64.21 1hg3 n ILE 149 Cb 0.18 -1.52 0.00 0.00 -0.75 0.00 0.00 39.64 37.55 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 -1.52 1.00 0.09 7.39 0.00 -1.26 -4.56 105.19 106.33 1hg3 n GLY 150 Ca 0.24 0.00 0.08 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 1.27 -1.00 2.61 -2.24 -0.91 -4.83 114.28 109.19 1hg3 n THR 151 Ca 0.00 0.53 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 1hg3 n THR 151 Cb 0.20 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 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 -1.00 0.46 3.50 3.38 0.00 -1.26 -5.00 105.19 105.27 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 -1.93 5.17 0.26 -0.61 1.01 -1.26 -4.84 121.20 118.99 1hg3 s ILE 153 Ca 0.00 -0.26 -0.30 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 1.31 -2.65 0.00 0.00 0.00 174.94 173.35 1hg3 n PRO 154 N 5.39 1.86 0.17 2.79 -0.02 -1.17 -3.89 135.00 140.12 1hg3 n PRO 154 Ca -0.09 0.66 0.04 0.00 -2.02 0.00 0.00 63.50 62.09 1hg3 n PRO 154 Cb 0.48 -2.25 0.22 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 2.78 0.94 0.00 -1.45 -1.51 -1.55 -2.09 116.25 113.37 1hg3 h VAL 155 Ca -0.44 -1.84 -0.09 0.00 -1.23 0.00 0.00 66.70 63.10 1hg3 h VAL 155 Cb 1.29 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 32.56 1hg3 h VAL 155 CO 0.71 0.44 -0.41 0.77 -1.23 0.00 0.00 177.57 177.85 1hg3 h SER 156 N 0.00 0.00 0.00 4.19 4.64 -1.89 -3.27 113.55 117.22 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 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1hg3 h SER 156 CO 0.06 0.41 -0.01 0.11 -0.87 0.00 0.00 176.83 176.54 1hg3 h LYS 157 N 0.00 0.00 -5.58 4.77 1.57 -1.90 -3.41 116.57 112.02 1hg3 h LYS 157 Ca -0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1hg3 h LYS 157 Cb 0.84 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.07 1hg3 h LYS 157 CO 0.05 0.00 -0.48 0.00 -0.57 0.00 0.00 179.45 178.45 1hg3 s ALA 158 N -2.63 3.84 -0.83 3.86 0.00 -0.80 -4.48 121.76 120.72 1hg3 s ALA 158 Ca -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 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 0.00 0.54 0.72 1.63 0.00 0.00 0.00 175.76 178.66 1hg3 n LYS 159 N 2.24 -4.85 0.29 0.00 5.02 -1.26 -4.29 118.16 115.31 1hg3 n LYS 159 Ca -0.19 0.52 0.16 0.00 -2.02 0.00 0.00 58.31 56.77 1hg3 n LYS 159 Cb 0.54 -4.61 0.87 0.00 -0.02 0.00 0.00 35.03 31.82 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 -1.61 0.00 -0.38 1.97 0.11 -1.78 -1.71 132.00 128.60 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 0.34 0.05 0.24 0.93 -0.21 0.00 0.00 178.00 179.36 1hg3 h GLU 161 N 0.00 0.50 0.00 1.05 3.07 -1.91 -0.66 114.58 116.62 1hg3 h GLU 161 Ca -0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1hg3 h GLU 161 Cb 0.19 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1hg3 h GLU 161 CO 0.01 0.34 -0.06 0.28 -1.40 0.00 0.00 179.01 178.17 1hg3 h VAL 162 N 0.51 0.87 0.05 3.13 2.07 -1.68 0.25 116.25 121.45 1hg3 h VAL 162 Ca 0.14 -0.23 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 1hg3 h VAL 162 Cb -0.05 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1hg3 h VAL 162 CO -0.03 0.06 -0.89 0.40 0.02 0.00 0.00 177.57 177.13 1hg3 h ILE 163 N 0.00 1.28 -0.28 4.57 2.04 -1.29 -3.16 117.51 120.67 1hg3 h ILE 163 Ca -0.00 -2.34 -0.02 0.00 1.00 0.00 0.00 64.86 63.50 1hg3 h ILE 163 Cb 0.12 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1hg3 h ILE 163 CO 0.01 0.57 0.11 0.74 0.00 0.00 0.00 178.15 179.58 1hg3 h THR 164 N -0.71 1.18 -0.21 -0.27 2.02 -1.05 -0.75 112.91 113.12 1hg3 h THR 164 Ca -0.21 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 1hg3 h THR 164 Cb 1.40 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1hg3 h THR 164 CO -0.02 0.18 -0.10 0.78 0.37 0.00 0.00 175.52 176.73 1hg3 h ASN 165 N 0.30 0.32 0.16 4.18 2.35 -0.69 -1.70 115.58 120.49 1hg3 h ASN 165 Ca 0.09 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1hg3 h ASN 165 Cb 0.18 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1hg3 h ASN 165 CO -0.01 0.46 -0.08 0.71 -1.65 0.00 0.00 177.43 176.87 1hg3 h THR 166 N 0.32 0.98 -0.83 2.81 1.35 -1.46 0.79 112.91 116.88 1hg3 h THR 166 Ca 0.07 -0.84 0.14 0.00 -0.55 0.00 0.00 66.41 65.22 1hg3 h THR 166 Cb 0.38 1.48 -0.09 0.00 -1.73 0.00 0.00 68.15 68.19 1hg3 h THR 166 CO 0.02 0.19 0.42 0.58 -0.25 0.00 0.00 175.52 176.48 1hg3 h VAL 167 N -0.64 0.75 0.52 6.82 2.07 -0.95 0.35 116.25 125.17 1hg3 h VAL 167 Ca -0.02 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1hg3 h VAL 167 Cb 0.47 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1hg3 h VAL 167 CO 0.04 0.11 -0.25 -0.33 0.02 0.00 0.00 177.57 177.16 1hg3 h GLU 168 N 0.62 -0.68 -0.46 1.57 5.08 -1.28 -1.74 114.58 117.69 1hg3 h GLU 168 Ca 0.44 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.91 1hg3 h GLU 168 Cb 0.60 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 1hg3 h GLU 168 CO -0.35 -0.40 0.14 -0.07 -1.00 0.00 0.00 179.01 177.34 1hg3 h LEU 169 N -1.11 0.12 0.02 1.33 3.38 -0.51 -0.36 115.31 118.19 1hg3 h LEU 169 Ca -0.07 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1hg3 h LEU 169 Cb 0.60 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1hg3 h LEU 169 CO 0.12 0.10 -0.01 0.58 0.09 0.00 0.00 178.44 179.32 1hg3 h VAL 170 N 0.31 0.97 -0.93 1.22 2.07 -0.40 -0.30 116.25 119.19 1hg3 h VAL 170 Ca 0.22 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.85 1hg3 h VAL 170 Cb 0.24 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 1hg3 h VAL 170 CO -0.24 0.00 0.59 0.50 0.02 0.00 0.00 177.57 178.44 1hg3 h LYS 171 N -0.03 0.89 -0.20 1.57 3.64 -0.85 0.25 116.57 121.84 1hg3 h LYS 171 Ca -0.00 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 1hg3 h LYS 171 Cb 0.03 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1hg3 h LYS 171 CO 0.00 0.59 -0.61 -0.22 -2.27 0.00 0.00 179.45 176.94 1hg3 h LYS 172 N 0.92 0.68 0.08 1.90 3.64 -0.64 -3.15 116.57 119.99 1hg3 h LYS 172 Ca 0.44 -0.46 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1hg3 h LYS 172 Cb 0.44 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1hg3 h LYS 172 CO -0.20 1.08 -0.53 0.28 -2.27 0.00 0.00 179.45 177.81 1hg3 h VAL 173 N 0.50 1.57 -1.65 2.00 2.07 -0.23 -3.44 116.25 117.08 1hg3 h VAL 173 Ca -0.01 -2.37 -0.20 0.00 0.82 0.00 0.00 66.70 64.95 1hg3 h VAL 173 Cb 1.20 3.13 -0.28 0.00 -1.52 0.00 0.00 31.29 33.82 1hg3 h VAL 173 CO 0.12 0.66 -0.55 0.21 0.02 0.00 0.00 177.57 178.03 1hg3 s ASN 174 N -6.69 0.25 0.61 0.57 3.84 0.79 -4.87 114.94 109.45 1hg3 s ASN 174 Ca -0.15 -0.61 0.30 0.00 0.21 0.00 0.00 52.86 52.62 1hg3 s ASN 174 Cb 0.00 1.14 1.67 0.00 -0.55 0.00 0.00 41.25 43.50 1hg3 s ASN 174 CO 0.79 -0.32 2.02 -0.65 -2.79 0.00 0.00 177.10 176.15 1hg3 h PRO 175 N 7.85 0.00 0.00 0.43 0.11 -1.69 -2.35 132.00 136.35 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 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hg3 h PRO 175 CO 0.23 0.00 -0.27 0.93 -0.21 0.00 0.00 178.00 178.68 1hg3 h GLU 176 N 0.00 0.00 -6.62 1.05 5.08 -1.91 -3.45 114.58 108.73 1hg3 h GLU 176 Ca 0.09 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.93 1hg3 h GLU 176 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1hg3 h GLU 176 CO -0.00 0.14 0.43 0.08 -1.00 0.00 0.00 179.01 178.67 1hg3 s VAL 177 N -3.15 4.12 0.06 3.13 1.01 -0.89 -4.98 120.40 119.71 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 0.29 0.13 -0.54 0.00 0.00 0.00 175.10 175.69 1hg3 s LYS 178 N -0.19 3.12 -0.10 2.72 -0.14 -0.87 -4.84 119.74 119.44 1hg3 s LYS 178 Ca 0.49 -0.56 -0.01 0.00 -1.36 0.00 0.00 55.97 54.52 1hg3 s LYS 178 Cb -0.27 -2.87 -0.03 0.00 -1.68 0.00 0.00 37.83 32.99 1hg3 s LYS 178 CO 0.33 0.59 -0.05 0.08 -0.76 0.00 0.00 175.35 175.54 1hg3 s VAL 179 N -1.41 3.82 0.23 3.17 1.01 -1.26 -0.77 120.40 125.19 1hg3 s VAL 179 Ca 0.31 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1hg3 s VAL 179 Cb -0.12 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1hg3 s VAL 179 CO 0.23 0.56 -0.07 -0.76 0.00 0.00 0.00 175.10 175.06 1hg3 s LEU 180 N -0.34 2.43 0.11 3.92 1.43 -0.52 -0.26 118.68 125.46 1hg3 s LEU 180 Ca 0.05 -1.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.06 1hg3 s LEU 180 Cb -0.12 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 1hg3 s LEU 180 CO 0.02 -0.34 -0.11 0.00 0.23 0.00 0.00 176.35 176.15 1hg3 s GLY 182 N -2.62 1.22 0.00 0.00 0.00 0.19 -1.61 107.32 104.50 1hg3 s GLY 182 Ca 0.09 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1hg3 s GLY 182 CO 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 173.10 172.11 1hg3 n ALA 183 N -0.44 -0.49 -0.30 3.20 0.00 -1.24 -4.26 120.51 116.97 1hg3 n ALA 183 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 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 2.23 1.92 3.64 0.00 0.00 -1.25 -1.84 105.19 109.89 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 -3.13 3.74 0.00 -0.61 -1.09 -1.26 -3.07 121.20 115.78 1hg3 s ILE 185 Ca 0.00 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 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 -0.23 0.00 -1.54 -1.23 0.00 0.00 174.94 171.94 1hg3 n SER 186 N 7.95 0.13 -4.78 3.58 3.41 -1.26 -4.59 113.62 118.05 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 64.36 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 4.60 0.48 6.66 2.01 -1.26 -4.64 115.64 123.44 1hg3 s THR 187 Ca 0.00 -0.70 0.27 0.00 0.31 0.00 0.00 61.69 61.57 1hg3 s THR 187 Cb 0.00 -3.20 0.31 0.00 0.01 0.00 0.00 72.50 69.61 1hg3 s THR 187 CO 0.00 0.15 2.13 1.23 -0.69 0.00 0.00 174.62 177.45 1hg3 h GLY 188 N 3.39 0.00 1.07 4.40 0.00 -1.78 -1.42 103.07 108.72 1hg3 h GLY 188 Ca -0.47 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 1hg3 h GLY 188 CO 0.66 0.00 -0.19 -2.09 0.00 0.00 0.00 176.54 174.92 1hg3 h GLU 189 N 0.00 0.92 -0.86 4.80 4.81 -1.89 -0.72 114.58 121.64 1hg3 h GLU 189 Ca -0.00 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1hg3 h GLU 189 Cb 0.21 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1hg3 h GLU 189 CO 0.01 1.05 0.45 -0.44 -0.73 0.00 0.00 179.01 179.34 1hg3 h ASP 190 N 0.76 1.10 -0.37 1.04 3.32 -1.67 0.26 116.42 120.86 1hg3 h ASP 190 Ca 0.10 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1hg3 h ASP 190 Cb 0.75 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1hg3 h ASP 190 CO 0.06 0.91 -0.01 0.58 -1.72 0.00 0.00 179.24 179.05 1hg3 h VAL 191 N 1.22 1.24 -0.27 -1.35 2.07 -1.15 0.86 116.25 118.88 1hg3 h VAL 191 Ca 0.30 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1hg3 h VAL 191 Cb 0.07 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1hg3 h VAL 191 CO -0.04 0.35 -0.09 0.50 0.02 0.00 0.00 177.57 178.31 1hg3 h LYS 192 N 0.71 0.53 0.30 1.57 3.64 -0.01 -2.68 116.57 120.64 1hg3 h LYS 192 Ca 0.14 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1hg3 h LYS 192 Cb 0.45 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1hg3 h LYS 192 CO 0.02 0.76 -0.14 0.87 -2.27 0.00 0.00 179.45 178.69 1hg3 h LYS 193 N 0.27 -0.39 -0.65 1.90 1.57 -0.20 -1.71 116.57 117.37 1hg3 h LYS 193 Ca 0.06 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.00 1hg3 h LYS 193 Cb 0.58 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.85 1hg3 h LYS 193 CO 0.03 -0.19 -0.22 0.00 -0.57 0.00 0.00 179.45 178.51 1hg3 h ALA 194 N 0.16 0.30 -0.69 3.86 0.00 -0.86 -0.29 119.26 121.74 1hg3 h ALA 194 Ca -0.04 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1hg3 h ALA 194 Cb 0.38 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1hg3 h ALA 194 CO 0.07 -0.49 0.13 0.82 0.00 0.00 0.00 179.25 179.77 1hg3 h ILE 195 N -0.05 1.26 -0.93 0.00 2.04 -1.40 -2.62 117.51 115.82 1hg3 h ILE 195 Ca 0.30 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1hg3 h ILE 195 Cb 0.51 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1hg3 h ILE 195 CO -0.69 0.39 0.61 -0.33 0.00 0.00 0.00 178.15 178.13 1hg3 h GLU 196 N 1.06 1.21 0.00 2.37 5.08 -0.16 -0.90 114.58 123.25 1hg3 h GLU 196 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1hg3 h GLU 196 Cb 0.42 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1hg3 h GLU 196 CO 0.01 0.80 0.00 1.28 -1.00 0.00 0.00 179.01 180.10 1hg3 n LEU 197 N -4.40 0.00 0.00 1.33 4.77 -0.31 -4.79 117.00 113.60 1hg3 n LEU 197 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 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 -0.03 0.74 3.87 -0.72 0.00 -0.35 -4.61 105.19 104.09 1hg3 n GLY 198 Ca 0.08 0.00 -0.31 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 4.25 -1.82 2.61 2.01 -1.01 -4.86 115.64 114.81 1hg3 s THR 199 Ca 0.00 0.73 0.15 0.00 0.31 0.00 0.00 61.69 62.88 1hg3 s THR 199 Cb 0.00 -3.71 0.16 0.00 0.01 0.00 0.00 72.50 68.96 1hg3 s THR 199 CO 0.00 -0.95 1.03 0.52 -0.69 0.00 0.00 174.62 174.52 1hg3 n VAL 200 N -2.86 0.13 -3.86 3.82 0.31 0.65 -4.46 118.33 112.06 1hg3 n VAL 200 Ca 0.06 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1hg3 n VAL 200 Cb 0.55 1.21 0.00 0.00 -0.91 0.00 0.00 33.84 34.69 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 0.86 -1.06 3.02 2.92 0.00 -1.26 -2.24 105.19 107.43 1hg3 n GLY 201 Ca 0.10 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 0.28 -0.19 1.61 1.01 0.18 -3.06 120.40 117.22 1hg3 s VAL 202 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1hg3 s VAL 202 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1hg3 s VAL 202 CO 0.00 -0.47 -0.14 -0.22 0.00 0.00 0.00 175.10 174.27 1hg3 s LEU 203 N -1.55 2.41 0.26 3.92 2.96 -0.63 -0.33 118.68 125.73 1hg3 s LEU 203 Ca -0.13 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.21 1hg3 s LEU 203 Cb -0.10 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1hg3 s LEU 203 CO -0.01 -0.01 0.28 -1.48 -1.32 0.00 0.00 176.35 173.82 1hg3 s LEU 204 N 1.36 1.08 0.00 -0.68 0.05 -0.66 -3.66 118.68 116.16 1hg3 s LEU 204 Ca 0.05 -1.39 0.00 0.00 0.05 0.00 0.00 54.13 52.85 1hg3 s LEU 204 Cb -0.13 0.86 0.00 0.00 -2.05 0.00 0.00 46.19 44.87 1hg3 s LEU 204 CO -0.09 -1.02 0.00 0.00 -0.55 0.00 0.00 176.35 174.69 1hg3 n ALA 205 N -0.41 1.60 -0.25 1.48 0.00 -1.26 0.22 120.51 121.89 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 0.39 -0.96 0.00 4.64 -1.91 0.45 113.55 116.17 1hg3 h SER 206 Ca 0.00 0.04 0.21 0.00 -0.47 0.00 0.00 61.79 61.57 1hg3 h SER 206 Cb 0.00 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 61.98 1hg3 h SER 206 CO 0.00 0.15 0.62 1.23 -0.87 0.00 0.00 176.83 177.95 1hg3 h GLY 207 N 0.38 1.16 0.00 -0.77 0.00 -1.93 0.84 103.07 102.75 1hg3 h GLY 207 Ca 0.48 -0.24 -0.45 0.00 0.00 0.00 0.00 47.33 47.12 1hg3 h GLY 207 CO -0.18 -0.03 -2.48 -0.62 0.00 0.00 0.00 176.54 173.22 1hg3 n VAL 208 N -4.59 1.53 -0.26 4.60 0.31 -0.74 -4.01 118.33 115.16 1hg3 n VAL 208 Ca 0.21 -0.38 0.19 0.00 -0.01 0.00 0.00 64.34 64.35 1hg3 n VAL 208 Cb 0.69 -1.86 0.50 0.00 -0.91 0.00 0.00 33.84 32.26 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 -0.93 0.66 -0.02 2.52 2.02 -0.80 -1.66 112.91 114.71 1hg3 h THR 209 Ca -0.68 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1hg3 h THR 209 Cb 1.62 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1hg3 h THR 209 CO -0.39 0.08 -0.36 0.29 0.37 0.00 0.00 175.52 175.50 1hg3 n LYS 210 N -4.54 1.48 -1.98 6.66 4.76 0.27 -4.72 118.16 120.09 1hg3 n LYS 210 Ca 0.20 -1.05 -0.42 0.00 -2.87 0.00 0.00 58.31 54.18 1hg3 n LYS 210 Cb 0.71 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.48 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 -2.19 3.71 0.31 7.82 0.00 -0.63 -4.89 121.76 125.91 1hg3 s ALA 211 Ca 0.18 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.51 1hg3 s ALA 211 Cb 0.16 -3.59 0.62 0.00 0.00 0.00 0.00 23.12 20.31 1hg3 s ALA 211 CO 0.47 -0.76 1.88 0.87 0.00 0.00 0.00 175.76 178.23 1hg3 h LYS 212 N 6.21 0.89 -3.06 0.00 1.57 -1.93 -3.26 116.57 116.98 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 32.91 1hg3 h LYS 212 CO 0.86 0.59 -0.68 0.34 -0.57 0.00 0.00 179.45 179.99 1hg3 s ASP 213 N -5.87 3.94 0.26 0.86 2.15 -1.26 -5.00 116.67 111.75 1hg3 s ASP 213 Ca -0.11 -3.12 -0.05 0.00 0.43 0.00 0.00 52.55 49.70 1hg3 s ASP 213 Cb 0.21 -1.31 0.51 0.00 -0.30 0.00 0.00 42.92 42.03 1hg3 s ASP 213 CO 0.80 -0.20 1.64 -0.65 -0.17 0.00 0.00 175.17 176.59 1hg3 h PRO 214 N 6.18 0.12 0.04 4.34 0.11 -1.80 -1.87 132.00 139.12 1hg3 h PRO 214 Ca 0.04 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.17 1hg3 h PRO 214 Cb 0.87 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1hg3 h PRO 214 CO 0.60 0.08 -0.20 1.49 -0.21 0.00 0.00 178.00 179.76 1hg3 h GLU 215 N 0.13 -0.33 -0.84 1.05 4.81 -1.93 0.88 114.58 118.36 1hg3 h GLU 215 Ca 0.45 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.80 1hg3 h GLU 215 Cb 0.83 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 1hg3 h GLU 215 CO -0.67 -0.22 0.48 -0.22 -0.73 0.00 0.00 179.01 177.65 1hg3 h LYS 216 N -0.34 0.78 -0.64 1.92 3.64 -1.78 0.19 116.57 120.33 1hg3 h LYS 216 Ca 0.05 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1hg3 h LYS 216 Cb 0.39 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1hg3 h LYS 216 CO -0.16 0.51 0.24 0.00 -2.27 0.00 0.00 179.45 177.77 1hg3 h ALA 217 N 1.46 0.83 -0.48 5.00 0.00 -0.60 0.17 119.26 125.65 1hg3 h ALA 217 Ca 0.41 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1hg3 h ALA 217 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1hg3 h ALA 217 CO -0.25 0.47 -0.05 0.82 0.00 0.00 0.00 179.25 180.24 1hg3 h ILE 218 N 0.91 1.27 -0.85 0.00 2.04 0.14 -2.26 117.51 118.75 1hg3 h ILE 218 Ca 0.21 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1hg3 h ILE 218 Cb 0.24 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1hg3 h ILE 218 CO -0.01 0.40 0.45 -0.50 0.00 0.00 0.00 178.15 178.48 1hg3 h TRP 219 N 0.74 1.19 -0.09 1.37 4.06 -0.29 -0.60 115.95 122.33 1hg3 h TRP 219 Ca 0.13 -0.04 0.02 0.00 2.06 0.00 0.00 58.89 61.06 1hg3 h TRP 219 Cb 0.58 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1hg3 h TRP 219 CO 0.04 0.84 -0.01 0.22 -3.56 0.00 0.00 178.44 175.97 1hg3 h ASP 220 N 1.19 -0.07 -0.40 -3.49 1.82 -0.77 0.16 116.42 114.87 1hg3 h ASP 220 Ca 0.30 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 57.00 1hg3 h ASP 220 Cb 0.06 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.08 1hg3 h ASP 220 CO -0.04 -0.02 0.16 -0.07 -1.61 0.00 0.00 179.24 177.66 1hg3 h LEU 221 N 0.01 0.20 -1.44 2.28 3.38 -0.97 -2.02 115.31 116.76 1hg3 h LEU 221 Ca 0.04 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1hg3 h LEU 221 Cb 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1hg3 h LEU 221 CO -0.09 0.15 -0.28 0.58 0.09 0.00 0.00 178.44 178.90 1hg3 h VAL 222 N 0.34 1.02 0.00 1.22 2.07 -0.68 -1.95 116.25 118.28 1hg3 h VAL 222 Ca 0.18 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1hg3 h VAL 222 Cb 0.13 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1hg3 h VAL 222 CO -0.16 0.27 0.00 0.77 0.02 0.00 0.00 177.57 178.47 1hg3 h SER 223 N 0.00 0.00 -0.15 0.57 4.64 0.08 -0.09 113.55 118.60 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 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 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 -0.83 1.30 0.00 -0.77 0.00 -0.73 -4.98 105.19 99.18 1hg3 n GLY 224 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1hg3 n GLY 224 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71