#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hga s HIS 2 N 0.00 2.56 0.01 6.34 4.02 -1.26 -4.83 115.29 122.13 1hga s HIS 2 Ca 0.00 -0.59 0.05 0.00 1.02 0.00 0.00 55.06 55.53 1hga s HIS 2 Cb 0.00 -4.54 -0.03 0.00 -1.02 0.00 0.00 32.58 26.99 1hga s HIS 2 CO 0.00 -1.87 -0.11 -0.51 1.02 0.00 0.00 174.74 173.27 1hga s LEU 3 N 4.74 2.94 0.95 0.89 1.02 -1.26 -5.11 118.68 122.85 1hga s LEU 3 Ca 0.36 -0.25 -0.12 0.00 0.02 0.00 0.00 54.13 54.14 1hga s LEU 3 Cb -0.07 -1.70 0.16 0.00 0.02 0.00 0.00 46.19 44.61 1hga s LEU 3 CO 0.03 0.28 1.10 -0.89 0.02 0.00 0.00 176.35 176.88 1hga s THR 4 N -0.96 2.25 -0.37 5.49 2.01 -1.26 -4.81 115.64 117.99 1hga s THR 4 Ca 0.16 0.08 0.23 0.00 0.31 0.00 0.00 61.69 62.47 1hga s THR 4 Cb -0.11 -2.64 0.11 0.00 0.01 0.00 0.00 72.50 69.87 1hga s THR 4 CO 0.06 -0.11 1.26 -0.65 -0.69 0.00 0.00 174.62 174.50 1hga h PRO 5 N -1.70 0.00 0.00 4.92 0.11 -1.99 0.37 132.00 133.71 1hga h PRO 5 Ca -0.52 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 1hga h PRO 5 Cb 1.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1hga h PRO 5 CO 0.58 0.00 -0.90 1.49 -0.21 0.00 0.00 178.00 178.96 1hga h GLU 6 N 0.00 0.00 0.02 1.05 4.57 -1.97 0.57 114.58 118.83 1hga h GLU 6 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1hga h GLU 6 Cb 0.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1hga h GLU 6 CO 0.00 0.44 -0.01 0.93 -1.18 0.00 0.00 179.01 179.19 1hga h GLU 7 N 0.00 -0.03 -0.22 1.92 5.08 -1.89 -2.31 114.58 117.14 1hga h GLU 7 Ca -0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1hga h GLU 7 Cb 1.48 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1hga h GLU 7 CO 0.06 0.63 -0.32 1.57 -1.00 0.00 0.00 179.01 179.95 1hga h LYS 8 N -0.74 0.45 -0.12 2.33 2.10 -0.28 -1.52 116.57 118.78 1hga h LYS 8 Ca -0.00 -0.19 -0.04 0.00 -2.00 0.00 0.00 60.65 58.42 1hga h LYS 8 Cb 0.68 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 1hga h LYS 8 CO 0.01 0.72 -0.11 0.66 -2.00 0.00 0.00 179.45 178.73 1hga h SER 9 N 0.38 0.17 1.08 7.07 4.64 0.13 -2.17 113.55 124.86 1hga h SER 9 Ca 0.05 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.18 1hga h SER 9 Cb 0.76 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1hga h SER 9 CO 0.06 0.31 -0.97 0.00 -0.87 0.00 0.00 176.83 175.36 1hga h ALA 10 N 1.72 0.62 0.21 5.18 0.00 -1.02 -2.76 119.26 123.21 1hga h ALA 10 Ca 0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1hga h ALA 10 Cb 0.31 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1hga h ALA 10 CO 0.02 0.89 -0.10 0.28 0.00 0.00 0.00 179.25 180.33 1hga h VAL 11 N 0.00 0.84 -0.50 0.00 2.07 -0.96 -3.12 116.25 114.57 1hga h VAL 11 Ca -0.08 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.68 1hga h VAL 11 Cb 1.56 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.55 1hga h VAL 11 CO 0.07 0.17 0.10 0.74 0.02 0.00 0.00 177.57 178.67 1hga h THR 12 N -0.75 0.71 -0.04 2.57 2.02 -1.52 -0.66 112.91 115.24 1hga h THR 12 Ca -0.03 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 1hga h THR 12 Cb 0.50 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1hga h THR 12 CO 0.05 0.04 -0.32 0.00 0.37 0.00 0.00 175.52 175.66 1hga h ALA 13 N 1.39 1.40 0.03 6.16 0.00 -1.57 -2.01 119.26 124.67 1hga h ALA 13 Ca 0.25 -0.31 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1hga h ALA 13 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1hga h ALA 13 CO -0.33 0.44 -1.68 1.25 0.00 0.00 0.00 179.25 178.92 1hga h LEU 14 N 0.06 0.09 -1.76 0.00 6.46 -1.38 -3.28 115.31 115.50 1hga h LEU 14 Ca 0.01 -0.19 0.06 0.00 -0.12 0.00 0.00 57.88 57.64 1hga h LEU 14 Cb 0.60 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 1hga h LEU 14 CO 0.04 1.17 0.28 -0.25 -0.62 0.00 0.00 178.44 179.07 1hga h TRP 15 N 0.02 0.30 0.00 1.25 2.91 -1.01 0.15 115.95 119.57 1hga h TRP 15 Ca -0.28 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.74 1hga h TRP 15 Cb 2.00 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 30.55 1hga h TRP 15 CO 0.02 0.16 -0.04 0.78 -1.03 0.00 0.00 178.44 178.33 1hga h GLY 16 N 0.30 0.00 -2.54 2.65 0.00 -1.42 -1.75 103.07 100.31 1hga h GLY 16 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1hga h GLY 16 CO -0.04 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.08 1hga n LYS 17 N -3.54 3.43 -3.20 4.80 2.85 0.53 -4.95 118.16 118.09 1hga n LYS 17 Ca -0.02 -2.73 -0.39 0.00 -1.05 0.00 0.00 58.31 54.12 1hga n LYS 17 Cb 0.15 -1.76 -0.06 0.00 -0.65 0.00 0.00 35.03 32.71 1hga n LYS 17 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1hga s VAL 18 N -1.79 4.79 -0.76 0.58 1.01 -0.66 -4.99 120.40 118.58 1hga s VAL 18 Ca 0.45 1.30 -0.15 0.00 0.00 0.00 0.00 61.98 63.58 1hga s VAL 18 Cb 0.29 -3.95 0.19 0.00 0.00 0.00 0.00 36.38 32.91 1hga s VAL 18 CO 0.22 0.48 0.72 0.21 0.00 0.00 0.00 175.10 176.72 1hga s ASN 19 N -0.61 6.60 0.26 3.32 3.84 -1.26 -4.92 114.94 122.17 1hga s ASN 19 Ca 0.31 -2.41 -0.02 0.00 0.21 0.00 0.00 52.86 50.95 1hga s ASN 19 Cb -0.19 -2.22 0.47 0.00 -0.55 0.00 0.00 41.25 38.76 1hga s ASN 19 CO 0.19 -0.68 1.79 0.58 -2.79 0.00 0.00 177.10 176.19 1hga h VAL 20 N 5.13 0.84 0.00 -5.21 2.07 -1.95 -1.39 116.25 115.75 1hga h VAL 20 Ca -0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1hga h VAL 20 Cb 1.06 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1hga h VAL 20 CO 0.85 0.14 0.00 0.47 0.02 0.00 0.00 177.57 179.05 1hga n ASP 21 N -4.78 0.00 0.16 0.57 9.92 -1.26 0.49 116.55 121.65 1hga n ASP 21 Ca 0.16 0.78 0.01 0.00 -0.53 0.00 0.00 54.79 55.20 1hga n ASP 21 Cb 0.35 -0.28 0.25 0.00 -0.64 0.00 0.00 41.12 40.80 1hga n ASP 21 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1hga h GLU 22 N 0.00 0.00 -0.19 -1.24 4.11 -1.93 -1.58 114.58 113.74 1hga h GLU 22 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 1hga h GLU 22 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1hga h GLU 22 CO 0.00 0.52 -0.56 0.28 0.07 0.00 0.00 179.01 179.31 1hga h VAL 23 N 0.00 1.32 -0.11 -1.06 2.07 -1.13 -0.69 116.25 116.64 1hga h VAL 23 Ca -0.01 -1.81 -0.17 0.00 0.82 0.00 0.00 66.70 65.54 1hga h VAL 23 Cb 0.95 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1hga h VAL 23 CO 0.07 0.57 -0.64 1.23 0.02 0.00 0.00 177.57 178.82 1hga h GLY 24 N 1.01 0.46 1.20 2.17 0.00 0.16 -1.35 103.07 106.72 1hga h GLY 24 Ca 0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1hga h GLY 24 CO 0.11 0.53 0.10 -1.33 0.00 0.00 0.00 176.54 175.94 1hga h GLY 25 N 1.24 1.06 0.82 4.60 0.00 -1.15 -2.04 103.07 107.60 1hga h GLY 25 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 1hga h GLY 25 CO 0.11 0.64 -0.36 -2.09 0.00 0.00 0.00 176.54 174.83 1hga h GLU 26 N 0.93 0.48 0.37 4.80 4.57 -1.05 -2.18 114.58 122.50 1hga h GLU 26 Ca 0.19 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1hga h GLU 26 Cb 0.41 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1hga h GLU 26 CO 0.01 0.96 -0.18 0.00 -1.18 0.00 0.00 179.01 178.62 1hga h ALA 27 N 0.52 -0.49 -0.44 2.92 0.00 -1.21 -1.63 119.26 118.93 1hga h ALA 27 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1hga h ALA 27 Cb 0.98 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1hga h ALA 27 CO 0.08 -0.68 0.00 1.25 0.00 0.00 0.00 179.25 179.90 1hga h LEU 28 N -0.69 0.68 -0.28 0.00 5.85 -1.50 -2.06 115.31 117.32 1hga h LEU 28 Ca -0.05 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1hga h LEU 28 Cb 0.49 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1hga h LEU 28 CO 0.08 0.75 0.10 1.23 -0.34 0.00 0.00 178.44 180.27 1hga h GLY 29 N 0.95 0.45 1.28 3.75 0.00 -1.31 -2.60 103.07 105.58 1hga h GLY 29 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1hga h GLY 29 CO 0.02 0.24 0.43 3.21 0.00 0.00 0.00 176.54 180.43 1hga h ARG 30 N 0.29 0.96 0.37 4.80 3.08 -1.15 -1.37 114.38 121.34 1hga h ARG 30 Ca 0.09 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1hga h ARG 30 Cb 0.21 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1hga h ARG 30 CO -0.01 0.67 -0.32 1.25 -1.07 0.00 0.00 179.97 180.49 1hga h LEU 31 N 0.97 -0.85 -1.32 3.04 5.85 -1.13 0.98 115.31 122.86 1hga h LEU 31 Ca 0.26 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.09 1hga h LEU 31 Cb -0.04 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1hga h LEU 31 CO -0.05 -0.46 0.49 -0.07 -0.34 0.00 0.00 178.44 178.01 1hga h LEU 32 N -0.70 0.75 0.18 2.25 4.07 -1.19 -0.66 115.31 120.02 1hga h LEU 32 Ca -0.03 -0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.65 1hga h LEU 32 Cb 0.62 -0.17 0.03 0.00 1.08 0.00 0.00 40.66 42.22 1hga h LEU 32 CO -0.03 0.51 -1.18 0.58 -1.08 0.00 0.00 178.44 177.23 1hga h VAL 33 N 0.87 1.36 0.18 1.22 2.07 -0.62 -3.23 116.25 118.10 1hga h VAL 33 Ca 0.31 -2.57 -0.30 0.00 0.82 0.00 0.00 66.70 64.95 1hga h VAL 33 Cb 0.12 3.02 0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1hga h VAL 33 CO -0.09 0.76 -1.34 0.58 0.02 0.00 0.00 177.57 177.49 1hga h VAL 34 N -0.01 1.40 -2.65 2.57 2.07 0.13 -3.38 116.25 116.39 1hga h VAL 34 Ca -0.20 -2.88 -0.60 0.00 0.82 0.00 0.00 66.70 63.83 1hga h VAL 34 Cb 1.92 2.97 -0.41 0.00 -1.52 0.00 0.00 31.29 34.25 1hga h VAL 34 CO 0.22 0.85 -0.69 -1.22 0.02 0.00 0.00 177.57 176.75 1hga n TYR 35 N -3.62 2.31 0.28 1.57 4.01 -0.28 -4.97 117.16 116.46 1hga n TYR 35 Ca -0.12 -4.04 0.16 0.00 -0.16 0.00 0.00 57.90 53.74 1hga n TYR 35 Cb 1.06 -0.43 0.84 0.00 -0.31 0.00 0.00 39.34 40.49 1hga n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1hga h PRO 36 N 5.01 0.00 0.00 -0.72 0.13 -1.71 -1.17 132.00 133.54 1hga h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1hga h PRO 36 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1hga h PRO 36 CO 0.66 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.54 1hga h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.90 -2.73 115.95 112.97 1hga h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1hga h TRP 37 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.56 1hga h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1hga n THR 38 N -2.55 0.60 0.29 0.12 -2.24 -0.44 -2.60 114.28 107.45 1hga n THR 38 Ca 0.04 0.15 0.14 0.00 -2.27 0.00 0.00 64.05 62.11 1hga n THR 38 Cb 0.39 -0.86 0.42 0.00 -2.10 0.00 0.00 70.33 68.19 1hga n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1hga h GLN 39 N 0.00 0.00 -0.19 -0.78 4.20 -1.68 -3.27 115.11 113.39 1hga h GLN 39 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1hga h GLN 39 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1hga h GLN 39 CO 0.00 0.00 0.36 0.07 -0.67 0.00 0.00 178.83 178.59 1hga h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.71 0.41 114.38 114.64 1hga h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hga h ARG 40 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 1hga h ARG 40 CO 0.00 0.00 -0.33 1.19 0.10 0.00 0.00 179.97 180.93 1hga n PHE 41 N -3.32 0.00 -2.31 4.08 3.72 -1.23 -4.53 117.46 113.87 1hga n PHE 41 Ca 0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.26 1hga n PHE 41 Cb 0.47 -0.09 0.03 0.00 -0.94 0.00 0.00 39.48 38.95 1hga n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1hga n PHE 42 N -0.52 2.26 0.09 1.38 3.72 0.15 -4.83 117.46 119.71 1hga n PHE 42 Ca 0.11 -2.22 0.02 0.00 -0.05 0.00 0.00 57.45 55.31 1hga n PHE 42 Cb 0.38 -0.30 0.39 0.00 -0.94 0.00 0.00 39.48 39.01 1hga n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1hga h GLU 43 N 2.34 0.30 0.00 -1.08 5.08 -1.80 -2.17 114.58 117.25 1hga h GLU 43 Ca 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1hga h GLU 43 Cb 1.43 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1hga h GLU 43 CO 0.57 0.39 0.00 -1.13 -1.00 0.00 0.00 179.01 177.84 1hga n SER 44 N -4.31 0.00 0.07 1.42 3.41 -1.26 -2.84 113.62 110.11 1hga n SER 44 Ca -0.00 0.17 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1hga n SER 44 Cb 0.24 -0.36 0.44 0.00 -0.26 0.00 0.00 64.21 64.26 1hga n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1hga n PHE 45 N -1.36 0.62 0.00 7.33 3.01 -0.82 -5.03 117.46 121.21 1hga n PHE 45 Ca 0.09 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.73 1hga n PHE 45 Cb 0.20 -0.78 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 1hga n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hga n GLY 46 N 1.37 0.40 3.67 1.37 0.00 -1.13 -4.73 105.19 106.14 1hga n GLY 46 Ca 0.06 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1hga n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hga s ASP 47 N -4.00 6.86 -0.04 1.61 2.15 -1.26 -4.84 116.67 117.15 1hga s ASP 47 Ca 0.00 1.98 0.07 0.00 0.43 0.00 0.00 52.55 55.03 1hga s ASP 47 Cb 0.00 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.18 1hga s ASP 47 CO 0.00 -0.76 1.06 0.18 -0.17 0.00 0.00 175.17 175.48 1hga n LEU 48 N 6.08 0.77 0.19 -1.34 4.77 -1.26 -4.22 117.00 121.98 1hga n LEU 48 Ca 0.14 -1.70 0.14 0.00 -0.03 0.00 0.00 56.01 54.56 1hga n LEU 48 Cb 0.44 -0.13 0.56 0.00 -2.33 0.00 0.00 43.42 41.96 1hga n LEU 48 CO 0.58 0.42 0.91 0.77 -1.33 0.00 0.00 177.39 178.74 1hga h SER 49 N 0.08 0.00 -5.03 -1.43 4.64 -1.91 -3.43 113.55 106.46 1hga h SER 49 Ca -0.01 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 1hga h SER 49 Cb 1.31 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.25 1hga h SER 49 CO 0.01 0.00 -0.67 0.42 -0.87 0.00 0.00 176.83 175.71 1hga s THR 50 N -3.44 0.36 0.39 2.95 -4.23 -1.26 -4.98 115.64 105.43 1hga s THR 50 Ca 0.03 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1hga s THR 50 Cb 0.09 -1.82 0.26 0.00 1.34 0.00 0.00 72.50 72.37 1hga s THR 50 CO 0.45 -0.72 2.04 -0.65 -0.54 0.00 0.00 174.62 175.20 1hga h PRO 51 N 2.94 0.62 -0.02 3.99 0.11 -1.98 0.63 132.00 138.30 1hga h PRO 51 Ca -0.35 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.52 1hga h PRO 51 Cb 1.17 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.16 1hga h PRO 51 CO 0.63 0.42 -0.74 -0.44 -0.21 0.00 0.00 178.00 177.66 1hga h ASP 52 N 0.64 0.70 -0.56 -2.05 3.32 -1.97 0.68 116.42 117.18 1hga h ASP 52 Ca 0.17 -0.73 0.10 0.00 0.02 0.00 0.00 57.03 56.59 1hga h ASP 52 Cb -0.06 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.20 1hga h ASP 52 CO -0.04 1.33 0.14 0.00 -1.72 0.00 0.00 179.24 178.95 1hga h ALA 53 N 0.38 0.66 -0.10 3.45 0.00 -1.56 0.47 119.26 122.55 1hga h ALA 53 Ca -0.09 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1hga h ALA 53 Cb 1.42 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1hga h ALA 53 CO 0.15 -0.28 -0.08 0.28 0.00 0.00 0.00 179.25 179.32 1hga h VAL 54 N 0.29 1.34 -0.64 0.00 2.07 0.35 -2.60 116.25 117.06 1hga h VAL 54 Ca 0.28 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1hga h VAL 54 Cb 0.39 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1hga h VAL 54 CO -0.34 0.33 0.05 0.24 0.02 0.00 0.00 177.57 177.87 1hga h MET 55 N -0.15 1.10 -0.01 1.57 2.07 0.76 -3.08 114.93 117.18 1hga h MET 55 Ca 0.02 -0.32 0.00 0.00 -2.07 0.00 0.00 59.70 57.33 1hga h MET 55 Cb 0.56 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 30.18 1hga h MET 55 CO 0.02 1.03 -0.25 0.41 1.07 0.00 0.00 176.91 179.19 1hga n GLY 56 N -0.51 -0.59 3.66 8.32 0.00 0.12 -4.83 105.19 111.36 1hga n GLY 56 Ca 0.04 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1hga n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hga s ASN 57 N -2.49 6.89 0.64 1.61 3.84 -0.98 -4.90 114.94 119.54 1hga s ASN 57 Ca 0.24 1.84 0.37 0.00 0.21 0.00 0.00 52.86 55.52 1hga s ASN 57 Cb 0.19 -2.54 2.05 0.00 -0.55 0.00 0.00 41.25 40.41 1hga s ASN 57 CO 0.52 -0.78 2.24 1.55 -2.79 0.00 0.00 177.10 177.83 1hga h PRO 58 N 8.40 0.00 0.14 0.43 0.13 -1.90 -1.51 132.00 137.68 1hga h PRO 58 Ca -0.30 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.60 1hga h PRO 58 Cb 1.13 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.28 1hga h PRO 58 CO 0.96 0.00 -0.99 0.87 -0.23 0.00 0.00 178.00 178.61 1hga h LYS 59 N 0.00 0.42 0.02 0.86 1.79 -1.91 -2.22 116.57 115.54 1hga h LYS 59 Ca 0.02 -0.64 0.03 0.00 -2.18 0.00 0.00 60.65 57.87 1hga h LYS 59 Cb 0.18 0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 31.02 1hga h LYS 59 CO -0.00 1.29 -0.20 0.28 -1.08 0.00 0.00 179.45 179.74 1hga h VAL 60 N -0.12 0.53 0.15 0.50 2.07 -1.60 0.50 116.25 118.28 1hga h VAL 60 Ca -0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1hga h VAL 60 Cb 1.75 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1hga h VAL 60 CO 0.19 0.00 -0.40 0.50 0.02 0.00 0.00 177.57 177.88 1hga h LYS 61 N -0.33 -0.63 -0.27 1.57 3.64 -1.49 1.97 116.57 121.02 1hga h LYS 61 Ca 0.05 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1hga h LYS 61 Cb 0.40 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1hga h LYS 61 CO -0.17 -0.42 -0.11 0.00 -2.27 0.00 0.00 179.45 176.48 1hga h ALA 62 N -0.15 1.31 -0.31 5.00 0.00 -1.29 0.17 119.26 123.99 1hga h ALA 62 Ca 0.02 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1hga h ALA 62 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1hga h ALA 62 CO -0.21 0.46 -0.42 1.25 0.00 0.00 0.00 179.25 180.33 1hga h HIS 63 N 0.42 0.92 0.03 0.00 -0.00 0.88 -2.28 115.15 115.11 1hga h HIS 63 Ca 0.08 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 1hga h HIS 63 Cb 0.45 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 1hga h HIS 63 CO 0.01 1.05 -0.04 0.78 -0.00 0.00 0.00 177.93 179.74 1hga h GLY 64 N 0.90 -0.06 1.49 5.26 0.00 0.47 -0.85 103.07 110.28 1hga h GLY 64 Ca 0.04 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1hga h GLY 64 CO 0.09 -0.04 0.28 1.70 0.00 0.00 0.00 176.54 178.57 1hga h LYS 65 N -0.08 0.44 -0.07 4.80 3.11 -0.68 -0.36 116.57 123.73 1hga h LYS 65 Ca 0.01 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 1hga h LYS 65 Cb 0.09 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 1hga h LYS 65 CO -0.02 0.29 -0.04 -0.22 -2.81 0.00 0.00 179.45 176.64 1hga h LYS 66 N 0.45 0.15 0.11 1.90 3.64 -1.00 0.19 116.57 122.01 1hga h LYS 66 Ca 0.17 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1hga h LYS 66 Cb 0.12 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1hga h LYS 66 CO -0.04 0.55 -0.05 0.28 -2.27 0.00 0.00 179.45 177.92 1hga h VAL 67 N -0.26 0.97 -0.01 2.00 2.07 -0.78 -2.30 116.25 117.94 1hga h VAL 67 Ca 0.01 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1hga h VAL 67 Cb 0.51 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1hga h VAL 67 CO 0.01 0.07 -0.18 0.25 0.02 0.00 0.00 177.57 177.74 1hga h LEU 68 N -0.26 0.02 -0.25 2.57 7.12 -1.14 -0.82 115.31 122.54 1hga h LEU 68 Ca -0.01 -0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.95 1hga h LEU 68 Cb 0.22 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1hga h LEU 68 CO 0.02 0.20 -0.01 1.23 -0.13 0.00 0.00 178.44 179.75 1hga h GLY 69 N 0.57 0.48 2.00 3.75 0.00 -0.81 -1.32 103.07 107.73 1hga h GLY 69 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1hga h GLY 69 CO 0.02 0.34 -0.48 0.00 0.00 0.00 0.00 176.54 176.41 1hga h ALA 70 N 0.80 1.20 0.40 3.60 0.00 -0.74 -3.06 119.26 121.47 1hga h ALA 70 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1hga h ALA 70 Cb 0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1hga h ALA 70 CO 0.02 0.61 -0.24 0.35 0.00 0.00 0.00 179.25 179.98 1hga h PHE 71 N 0.00 -0.64 -0.95 0.00 3.04 -0.80 -3.03 116.94 114.56 1hga h PHE 71 Ca -0.00 -0.01 0.22 0.00 3.98 0.00 0.00 57.97 62.16 1hga h PHE 71 Cb 0.86 0.22 -0.18 0.00 2.56 0.00 0.00 35.95 39.41 1hga h PHE 71 CO 0.00 -0.38 -0.13 0.45 -2.02 0.00 0.00 178.31 176.23 1hga n SER 72 N -5.37 -0.24 0.09 0.41 2.88 -0.53 -1.05 113.62 109.80 1hga n SER 72 Ca -0.11 1.63 -0.00 0.00 -1.33 0.00 0.00 58.87 59.06 1hga n SER 72 Cb 0.28 -0.54 0.29 0.00 -0.75 0.00 0.00 64.21 63.49 1hga n SER 72 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1hga h ASP 73 N 0.00 0.26 0.47 -3.46 3.58 -1.50 -2.66 116.42 113.11 1hga h ASP 73 Ca 0.51 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.80 1hga h ASP 73 Cb 0.91 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1hga h ASP 73 CO -0.95 0.54 -0.38 1.23 -2.88 0.00 0.00 179.24 176.81 1hga h GLY 74 N 1.01 0.00 1.07 -0.78 0.00 -1.04 -1.37 103.07 101.96 1hga h GLY 74 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.48 1hga h GLY 74 CO 0.04 0.00 0.35 1.41 0.00 0.00 0.00 176.54 178.35 1hga h LEU 75 N 0.00 0.00 -0.00 3.11 3.38 -1.33 1.62 115.31 122.09 1hga h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hga h LEU 75 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1hga h LEU 75 CO 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.58 1hga n ALA 76 N -2.47 2.39 -2.50 1.53 0.00 -0.52 -3.66 120.51 115.28 1hga n ALA 76 Ca 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1hga n ALA 76 Cb 0.54 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1hga n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hga n HIS 77 N -1.42 1.25 0.31 0.00 8.25 0.54 -4.88 115.22 119.27 1hga n HIS 77 Ca 0.10 -1.80 0.08 0.00 -0.26 0.00 0.00 57.72 55.84 1hga n HIS 77 Cb 0.30 -0.24 0.45 0.00 1.12 0.00 0.00 29.99 31.62 1hga n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1hga h LEU 78 N 2.09 0.00 -0.05 2.41 4.07 -1.43 1.95 115.31 124.35 1hga h LEU 78 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1hga h LEU 78 Cb 1.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.17 1hga h LEU 78 CO 0.28 0.00 -0.71 -0.90 -1.08 0.00 0.00 178.44 176.03 1hga n ASP 79 N -2.60 0.79 -2.90 -0.43 5.68 -1.26 -2.31 116.55 113.52 1hga n ASP 79 Ca -0.01 -0.64 -0.13 0.00 -0.50 0.00 0.00 54.79 53.50 1hga n ASP 79 Cb 0.60 0.58 0.02 0.00 -1.14 0.00 0.00 41.12 41.18 1hga n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1hga n ASN 80 N -1.42 -1.71 0.15 -1.12 4.05 0.66 -4.77 115.26 111.10 1hga n ASN 80 Ca 0.05 -3.19 0.00 0.00 0.45 0.00 0.00 54.58 51.90 1hga n ASN 80 Cb 0.34 1.00 0.19 0.00 1.23 0.00 0.00 39.78 42.54 1hga n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1hga h LEU 81 N 3.76 0.00 0.79 1.20 3.38 -1.61 -2.07 115.31 120.76 1hga h LEU 81 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1hga h LEU 81 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1hga h LEU 81 CO 0.35 0.57 -0.49 0.11 0.09 0.00 0.00 178.44 179.07 1hga h LYS 82 N 0.00 -1.15 0.00 1.13 1.57 -1.88 0.12 116.57 116.36 1hga h LYS 82 Ca -0.01 0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1hga h LYS 82 Cb 1.10 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1hga h LYS 82 CO 0.07 -0.77 -0.24 0.78 -0.57 0.00 0.00 179.45 178.73 1hga h GLY 83 N -1.19 0.00 1.18 3.86 0.00 -1.94 -1.72 103.07 103.25 1hga h GLY 83 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 1hga h GLY 83 CO 0.11 0.00 0.01 -0.84 0.00 0.00 0.00 176.54 175.81 1hga h THR 84 N 0.00 1.26 -0.42 4.70 2.02 -1.11 -3.21 112.91 116.15 1hga h THR 84 Ca -0.00 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1hga h THR 84 Cb 0.88 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1hga h THR 84 CO 0.03 0.40 0.00 0.49 0.37 0.00 0.00 175.52 176.81 1hga n PHE 85 N -4.19 0.55 -0.23 3.16 3.72 0.41 -4.71 117.46 116.17 1hga n PHE 85 Ca 0.03 -0.35 0.01 0.00 -0.05 0.00 0.00 57.45 57.09 1hga n PHE 85 Cb 0.33 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.95 1hga n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hga h ALA 86 N 3.55 0.49 -0.43 4.37 0.00 -1.32 0.20 119.26 126.12 1hga h ALA 86 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1hga h ALA 86 Cb 0.87 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1hga h ALA 86 CO 0.00 -0.42 -0.17 1.79 0.00 0.00 0.00 179.25 180.45 1hga h THR 87 N 0.02 1.28 -0.02 0.00 1.35 -1.84 -1.76 112.91 111.94 1hga h THR 87 Ca 0.34 -1.31 -0.08 0.00 -0.55 0.00 0.00 66.41 64.81 1hga h THR 87 Cb 0.52 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1hga h THR 87 CO -0.69 0.44 -0.35 -0.07 -0.25 0.00 0.00 175.52 174.61 1hga h LEU 88 N 0.69 0.03 0.75 3.87 3.38 -1.73 -0.61 115.31 121.68 1hga h LEU 88 Ca 0.10 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1hga h LEU 88 Cb 0.73 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1hga h LEU 88 CO 0.06 0.38 -0.36 -1.28 0.09 0.00 0.00 178.44 177.32 1hga h SER 89 N 0.03 -0.85 -1.00 -0.43 0.87 -0.29 -0.55 113.55 111.33 1hga h SER 89 Ca 0.00 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.69 1hga h SER 89 Cb 0.63 0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 62.73 1hga h SER 89 CO 0.05 -0.50 0.63 -0.33 -0.53 0.00 0.00 176.83 176.15 1hga h GLU 90 N -1.19 0.97 -0.35 2.24 5.08 -1.14 -0.97 114.58 119.22 1hga h GLU 90 Ca -0.10 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1hga h GLU 90 Cb 0.79 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1hga h GLU 90 CO 0.17 0.64 0.10 1.25 -1.00 0.00 0.00 179.01 180.17 1hga h LEU 91 N 1.00 0.51 -0.94 1.33 5.85 -1.00 0.50 115.31 122.56 1hga h LEU 91 Ca 0.49 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 1hga h LEU 91 Cb 0.47 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1hga h LEU 91 CO -0.25 0.59 -0.36 0.45 -0.34 0.00 0.00 178.44 178.52 1hga h HIS 92 N 0.41 0.36 0.02 1.25 3.86 -0.61 -0.40 115.15 120.04 1hga h HIS 92 Ca 0.11 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1hga h HIS 92 Cb 0.26 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1hga h HIS 92 CO 0.01 0.64 -0.01 0.00 0.86 0.00 0.00 177.93 179.43 1hga h ASP 94 N -0.17 1.06 0.00 0.00 3.32 -0.10 -3.16 116.42 117.37 1hga h ASP 94 Ca -0.00 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.77 1hga h ASP 94 Cb 0.02 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1hga h ASP 94 CO 0.00 0.72 -1.93 0.29 -1.72 0.00 0.00 179.24 176.60 1hga n LYS 95 N -4.45 0.36 0.08 3.56 4.76 -0.33 -4.76 118.16 117.39 1hga n LYS 95 Ca 0.13 0.14 0.12 0.00 -2.87 0.00 0.00 58.31 55.83 1hga n LYS 95 Cb 0.11 -1.15 0.09 0.00 -1.84 0.00 0.00 35.03 32.24 1hga n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hga h LEU 96 N -0.46 0.00 -1.29 -0.35 3.38 -1.17 -3.48 115.31 111.94 1hga h LEU 96 Ca -0.41 -0.14 -0.42 0.00 0.09 0.00 0.00 57.88 57.01 1hga h LEU 96 Cb 1.42 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.23 1hga h LEU 96 CO -0.21 0.07 -0.76 1.41 0.09 0.00 0.00 178.44 179.04 1hga n HIS 97 N -2.35 -2.32 -2.95 1.13 8.25 -0.10 -4.95 115.22 111.93 1hga n HIS 97 Ca 0.02 0.92 -0.41 0.00 -0.26 0.00 0.00 57.72 57.99 1hga n HIS 97 Cb 0.49 -4.55 -0.05 0.00 1.12 0.00 0.00 29.99 27.00 1hga n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hga s VAL 98 N -3.42 4.88 0.03 1.59 1.01 0.42 -5.00 120.40 119.92 1hga s VAL 98 Ca 0.35 1.44 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 1hga s VAL 98 Cb -0.16 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1hga s VAL 98 CO 0.78 -0.04 1.90 -0.62 0.00 0.00 0.00 175.10 177.12 1hga s ASP 99 N 1.37 6.48 0.51 3.32 -1.08 -1.26 -4.69 116.67 121.32 1hga s ASP 99 Ca 0.32 2.61 0.31 0.00 -0.52 0.00 0.00 52.55 55.28 1hga s ASP 99 Cb -0.15 -2.53 1.69 0.00 -1.46 0.00 0.00 42.92 40.46 1hga s ASP 99 CO 0.08 -1.03 1.94 1.55 0.52 0.00 0.00 175.17 178.23 1hga h PRO 100 N 10.23 0.00 0.00 4.34 0.13 -1.96 -1.79 132.00 142.94 1hga h PRO 100 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1hga h PRO 100 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1hga h PRO 100 CO 0.94 0.00 -0.00 1.49 -0.23 0.00 0.00 178.00 180.20 1hga h GLU 101 N 0.00 0.00 0.00 0.86 4.57 -1.97 0.92 114.58 118.96 1hga h GLU 101 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1hga h GLU 101 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1hga h GLU 101 CO 0.00 0.00 -0.18 -0.91 -1.18 0.00 0.00 179.01 176.74 1hga h ASN 102 N 0.00 0.00 0.22 1.04 4.21 -1.70 -1.18 115.58 118.17 1hga h ASN 102 Ca -0.00 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.38 1hga h ASN 102 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1hga h ASN 102 CO 0.00 0.18 -0.50 -0.26 -1.29 0.00 0.00 177.43 175.57 1hga h PHE 103 N 0.00 0.39 -0.02 1.19 0.04 -0.99 0.31 116.94 117.87 1hga h PHE 103 Ca -0.00 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 1hga h PHE 103 Cb 0.38 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1hga h PHE 103 CO 0.00 0.76 -0.03 0.00 -0.60 0.00 0.00 178.31 178.43 1hga h ARG 104 N 0.26 0.05 -0.58 1.51 3.08 -1.30 -2.54 114.38 114.86 1hga h ARG 104 Ca 0.01 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.13 1hga h ARG 104 Cb 0.97 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.94 1hga h ARG 104 CO 0.08 0.60 0.13 -0.07 -1.07 0.00 0.00 179.97 179.64 1hga h LEU 105 N -0.49 0.02 -0.64 3.04 3.38 -1.12 -1.66 115.31 117.85 1hga h LEU 105 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1hga h LEU 105 Cb 0.60 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1hga h LEU 105 CO 0.01 0.03 0.40 0.25 0.09 0.00 0.00 178.44 179.21 1hga h LEU 106 N 0.27 0.76 -0.81 1.67 5.85 -0.91 -1.81 115.31 120.33 1hga h LEU 106 Ca 0.30 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1hga h LEU 106 Cb 0.43 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1hga h LEU 106 CO -0.38 0.58 0.51 1.23 -0.34 0.00 0.00 178.44 180.04 1hga h GLY 107 N 0.87 1.19 1.36 3.75 0.00 -0.90 0.42 103.07 109.75 1hga h GLY 107 Ca 0.23 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 1hga h GLY 107 CO -0.05 0.29 -0.43 3.43 0.00 0.00 0.00 176.54 179.79 1hga h ASN 108 N 0.96 0.75 -0.36 0.19 2.35 -1.02 -0.55 115.58 117.90 1hga h ASN 108 Ca 0.34 -0.35 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1hga h ASN 108 Cb 0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1hga h ASN 108 CO -0.14 1.08 -0.06 0.58 -1.65 0.00 0.00 177.43 177.24 1hga h VAL 109 N 0.57 1.27 0.21 2.81 2.07 -0.61 -2.24 116.25 120.33 1hga h VAL 109 Ca 0.04 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.47 1hga h VAL 109 Cb 0.97 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1hga h VAL 109 CO 0.09 0.36 -0.48 0.25 0.02 0.00 0.00 177.57 177.82 1hga h LEU 110 N 0.47 -1.39 -0.90 2.57 5.85 0.00 0.31 115.31 122.22 1hga h LEU 110 Ca 0.09 0.14 0.22 0.00 0.84 0.00 0.00 57.88 59.18 1hga h LEU 110 Cb 0.55 0.50 -0.13 0.00 0.37 0.00 0.00 40.66 41.96 1hga h LEU 110 CO 0.03 -0.56 0.40 0.58 -0.34 0.00 0.00 178.44 178.55 1hga h VAL 111 N -0.77 0.47 -0.04 1.05 2.07 -1.04 0.61 116.25 118.60 1hga h VAL 111 Ca -0.01 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1hga h VAL 111 Cb 0.75 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1hga h VAL 111 CO -0.21 0.07 -0.36 0.00 0.02 0.00 0.00 177.57 177.09 1hga h VAL 113 N 0.08 1.31 -0.16 0.00 2.07 0.39 -2.79 116.25 117.14 1hga h VAL 113 Ca 0.01 -2.18 -0.00 0.00 0.82 0.00 0.00 66.70 65.34 1hga h VAL 113 Cb 0.68 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1hga h VAL 113 CO 0.05 0.67 0.09 -0.07 0.02 0.00 0.00 177.57 178.33 1hga h LEU 114 N 0.40 0.20 0.06 2.57 3.38 -0.92 -1.82 115.31 119.19 1hga h LEU 114 Ca -0.09 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1hga h LEU 114 Cb 1.55 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.21 1hga h LEU 114 CO 0.18 0.23 -0.26 0.00 0.09 0.00 0.00 178.44 178.67 1hga h ALA 115 N 0.98 -0.40 -0.82 1.53 0.00 -1.50 0.31 119.26 119.36 1hga h ALA 115 Ca 0.06 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.12 1hga h ALA 115 Cb 0.07 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 1hga h ALA 115 CO -0.01 -0.78 0.34 1.25 0.00 0.00 0.00 179.25 180.04 1hga h HIS 116 N -0.44 0.56 0.14 0.00 -0.00 -1.33 0.92 115.15 115.00 1hga h HIS 116 Ca 0.04 0.04 -0.29 0.00 -0.00 0.00 0.00 60.37 60.16 1hga h HIS 116 Cb 0.49 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 1hga h HIS 116 CO -0.27 0.01 -1.38 1.25 -0.00 0.00 0.00 177.93 177.55 1hga h HIS 117 N 0.43 0.53 -0.01 5.26 6.17 -0.99 -3.35 115.15 123.18 1hga h HIS 117 Ca 0.48 -0.39 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1hga h HIS 117 Cb 0.81 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.72 1hga h HIS 117 CO -0.16 1.35 -0.73 1.19 0.71 0.00 0.00 177.93 180.29 1hga n PHE 118 N -3.52 0.00 0.00 5.26 3.72 0.11 -5.04 117.46 117.99 1hga n PHE 118 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1hga n PHE 118 Cb 1.04 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 1hga n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hga n GLY 119 N 1.46 2.44 0.42 1.37 0.00 0.31 -1.47 105.19 109.73 1hga n GLY 119 Ca 0.06 0.16 0.28 0.00 0.00 0.00 0.00 46.02 46.53 1hga n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1hga h LYS 120 N 0.00 0.27 0.00 1.61 1.63 -1.96 -0.06 116.57 118.05 1hga h LYS 120 Ca 0.00 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1hga h LYS 120 Cb 0.00 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1hga h LYS 120 CO 0.00 0.18 -0.12 1.49 -3.45 0.00 0.00 179.45 177.54 1hga h GLU 121 N 0.28 0.00 -4.16 1.90 4.81 -1.64 -3.35 114.58 112.41 1hga h GLU 121 Ca 0.69 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 59.16 1hga h GLU 121 Cb 1.91 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 31.06 1hga h GLU 121 CO -0.38 0.12 0.79 0.12 -0.73 0.00 0.00 179.01 178.93 1hga s PHE 122 N -3.97 3.84 0.59 0.92 5.36 -0.04 -4.92 117.98 119.76 1hga s PHE 122 Ca -0.02 -2.30 -0.12 0.00 -0.96 0.00 0.00 56.93 53.54 1hga s PHE 122 Cb 0.12 -4.05 -0.05 0.00 -0.34 0.00 0.00 43.02 38.70 1hga s PHE 122 CO 0.58 -1.17 1.01 0.95 -1.46 0.00 0.00 175.22 175.13 1hga s THR 123 N 0.29 4.69 0.29 0.12 -4.23 -1.26 -4.72 115.64 110.82 1hga s THR 123 Ca 0.34 0.90 0.01 0.00 -1.18 0.00 0.00 61.69 61.76 1hga s THR 123 Cb -0.07 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.27 1hga s THR 123 CO -0.05 -1.05 1.61 -0.65 -0.54 0.00 0.00 174.62 173.95 1hga h PRO 124 N -0.06 0.10 -0.11 3.99 0.11 -1.94 0.96 132.00 135.05 1hga h PRO 124 Ca -0.45 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 1hga h PRO 124 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1hga h PRO 124 CO 0.62 0.07 -0.51 -1.35 -0.21 0.00 0.00 178.00 176.62 1hga h PRO 125 N 0.11 0.31 -0.05 1.05 0.11 -1.99 -1.33 132.00 130.21 1hga h PRO 125 Ca 0.55 -0.18 -0.23 0.00 0.11 0.00 0.00 66.00 66.26 1hga h PRO 125 Cb 1.13 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.26 1hga h PRO 125 CO -0.76 0.75 -0.89 0.28 -0.21 0.00 0.00 178.00 177.17 1hga h VAL 126 N 0.24 1.34 -0.16 3.15 2.07 0.22 -2.91 116.25 120.20 1hga h VAL 126 Ca 0.01 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.29 1hga h VAL 126 Cb 0.98 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1hga h VAL 126 CO 0.08 0.68 0.09 -0.61 0.02 0.00 0.00 177.57 177.83 1hga h GLN 127 N 0.35 0.22 -0.81 1.57 4.15 0.53 -2.37 115.11 118.75 1hga h GLN 127 Ca -0.08 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.43 1hga h GLN 127 Cb 1.51 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 29.10 1hga h GLN 127 CO 0.16 0.22 0.53 0.00 -1.93 0.00 0.00 178.83 177.81 1hga h ALA 128 N 0.99 1.81 -0.14 3.38 0.00 -1.19 0.12 119.26 124.24 1hga h ALA 128 Ca 0.06 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1hga h ALA 128 Cb 0.06 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1hga h ALA 128 CO -0.01 0.01 -0.60 0.00 0.00 0.00 0.00 179.25 178.64 1hga h ALA 129 N 1.61 0.26 -0.60 0.00 0.00 -1.42 -3.02 119.26 116.08 1hga h ALA 129 Ca 0.38 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1hga h ALA 129 Cb 0.54 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1hga h ALA 129 CO -0.15 0.51 0.11 1.88 0.00 0.00 0.00 179.25 181.60 1hga h TYR 130 N 0.31 1.01 -0.60 0.00 0.05 -0.68 -1.82 116.97 115.24 1hga h TYR 130 Ca -0.04 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1hga h TYR 130 Cb 1.24 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 1hga h TYR 130 CO 0.10 0.85 0.39 1.96 -1.05 0.00 0.00 178.16 180.41 1hga h GLN 131 N 0.91 0.80 -0.21 4.88 1.08 -0.83 -0.22 115.11 121.53 1hga h GLN 131 Ca 0.19 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.20 1hga h GLN 131 Cb 0.38 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1hga h GLN 131 CO 0.01 0.54 -0.44 0.87 -0.95 0.00 0.00 178.83 178.86 1hga h LYS 132 N 0.82 0.52 0.48 1.46 1.57 -1.24 -2.58 116.57 117.60 1hga h LYS 132 Ca 0.22 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1hga h LYS 132 Cb -0.08 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1hga h LYS 132 CO -0.05 0.86 -0.23 0.28 -0.57 0.00 0.00 179.45 179.75 1hga h VAL 133 N 0.42 0.32 0.00 0.50 2.07 -0.35 -1.46 116.25 117.76 1hga h VAL 133 Ca 0.03 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1hga h VAL 133 Cb 0.94 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1hga h VAL 133 CO 0.08 0.06 -0.05 -0.37 0.02 0.00 0.00 177.57 177.30 1hga h VAL 134 N -1.02 0.28 0.13 2.57 -1.51 -1.19 0.11 116.25 115.61 1hga h VAL 134 Ca -0.07 -0.36 -0.28 0.00 -1.23 0.00 0.00 66.70 64.76 1hga h VAL 134 Cb 0.59 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1hga h VAL 134 CO 0.11 0.05 -1.28 0.00 -1.23 0.00 0.00 177.57 175.22 1hga h ALA 135 N 1.95 0.12 -0.37 5.19 0.00 -1.45 -2.14 119.26 122.57 1hga h ALA 135 Ca -0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 54.91 53.84 1hga h ALA 135 Cb 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1hga h ALA 135 CO 0.01 1.00 -0.36 0.78 0.00 0.00 0.00 179.25 180.68 1hga h GLY 136 N 1.63 0.93 0.90 0.00 0.00 -0.14 -2.05 103.07 104.33 1hga h GLY 136 Ca -0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.24 1hga h GLY 136 CO 0.20 0.84 0.09 -2.08 0.00 0.00 0.00 176.54 175.58 1hga h VAL 137 N 0.71 1.20 -0.82 4.60 2.07 -0.84 0.36 116.25 123.52 1hga h VAL 137 Ca 0.06 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1hga h VAL 137 Cb 0.93 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 1hga h VAL 137 CO 0.09 0.21 0.50 0.00 0.02 0.00 0.00 177.57 178.38 1hga h ALA 138 N 0.92 1.12 -0.23 1.67 0.00 -1.31 0.36 119.26 121.79 1hga h ALA 138 Ca 0.09 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1hga h ALA 138 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1hga h ALA 138 CO -0.00 0.22 -0.51 -0.91 0.00 0.00 0.00 179.25 178.05 1hga h ASN 139 N 0.90 0.73 -0.36 0.00 2.35 -1.14 -0.24 115.58 117.82 1hga h ASN 139 Ca 0.36 -0.37 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 1hga h ASN 139 Cb 0.18 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1hga h ASN 139 CO -0.18 1.11 -0.33 0.00 -1.65 0.00 0.00 177.43 176.37 1hga h ALA 140 N 0.91 0.52 0.00 -0.83 0.00 -0.06 -1.89 119.26 117.91 1hga h ALA 140 Ca 0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1hga h ALA 140 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1hga h ALA 140 CO 0.10 0.58 -0.42 -0.07 0.00 0.00 0.00 179.25 179.45 1hga h LEU 141 N 0.65 0.00 -0.22 0.00 3.38 -0.25 -2.80 115.31 116.07 1hga h LEU 141 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1hga h LEU 141 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1hga h LEU 141 CO 0.08 0.42 -0.23 0.00 0.09 0.00 0.00 178.44 178.80 1hga n ALA 142 N -2.36 2.99 -0.14 1.53 0.00 -0.11 -4.33 120.51 118.09 1hga n ALA 142 Ca -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 1hga n ALA 142 Cb 0.50 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.72 1hga n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hga h HIS 143 N 0.53 -0.54 -0.42 0.00 6.17 -1.07 -3.07 115.15 116.75 1hga h HIS 143 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1hga h HIS 143 Cb 0.45 0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.69 1hga h HIS 143 CO 0.00 -0.30 0.00 1.63 0.71 0.00 0.00 177.93 179.97 1hga n LYS 144 N -5.39 2.07 -2.19 5.26 4.76 -1.26 -4.95 118.16 116.45 1hga n LYS 144 Ca 0.03 -1.55 -0.39 0.00 -2.87 0.00 0.00 58.31 53.53 1hga n LYS 144 Cb 0.30 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.11 1hga n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1hga s TYR 145 N -1.47 3.00 0.00 2.13 1.51 -1.16 -4.64 117.35 116.72 1hga s TYR 145 Ca 0.29 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.84 1hga s TYR 145 Cb 0.15 -3.53 0.00 0.00 -0.11 0.00 0.00 41.96 38.48 1hga s TYR 145 CO 0.19 -1.63 0.00 -2.39 -1.11 0.00 0.00 175.55 170.61