#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixx s LEU 3 N 0.00 3.21 -0.19 0.00 2.01 -1.26 -5.03 118.68 117.42 1ixx s LEU 3 Ca 0.00 -0.67 -0.31 0.00 0.01 0.00 0.00 54.13 53.17 1ixx s LEU 3 Cb 0.00 -1.72 -0.08 0.00 0.01 0.00 0.00 46.19 44.40 1ixx s LEU 3 CO 0.00 -0.05 2.14 -1.20 1.01 0.00 0.00 176.35 178.24 1ixx n SER 4 N -0.94 3.21 0.00 2.29 7.64 -1.26 -1.16 113.62 123.40 1ixx n SER 4 Ca -0.06 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1ixx n SER 4 Cb 0.59 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1ixx n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ixx n GLY 5 N 5.55 2.51 3.70 0.23 0.00 -1.26 -5.08 105.19 110.84 1ixx n GLY 5 Ca 0.30 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1ixx n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ixx s TRP 6 N -0.24 3.55 0.03 1.61 0.52 -0.30 -4.77 118.94 119.33 1ixx s TRP 6 Ca 0.00 1.39 -0.10 0.00 0.02 0.00 0.00 56.10 57.41 1ixx s TRP 6 Cb 0.00 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 29.29 1ixx s TRP 6 CO 0.00 -0.06 0.35 -1.12 0.02 0.00 0.00 176.95 176.14 1ixx s SER 7 N 0.98 6.62 0.34 2.95 0.01 0.71 -4.44 113.70 120.87 1ixx s SER 7 Ca 0.42 0.75 -0.12 0.00 1.31 0.00 0.00 55.95 58.30 1ixx s SER 7 Cb -0.18 -2.16 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 1ixx s SER 7 CO 0.19 0.24 0.72 -0.44 0.41 0.00 0.00 173.24 174.35 1ixx s SER 8 N -1.57 6.65 -0.30 2.44 0.01 -1.26 -0.29 113.70 119.38 1ixx s SER 8 Ca 0.29 1.16 -0.11 0.00 1.31 0.00 0.00 55.95 58.60 1ixx s SER 8 Cb -0.14 -2.33 0.14 0.00 0.21 0.00 0.00 66.02 63.90 1ixx s SER 8 CO 0.16 -0.26 0.74 -0.47 0.41 0.00 0.00 173.24 173.82 1ixx s TYR 9 N -2.11 -1.16 -0.91 2.43 5.04 -0.20 -4.94 117.35 115.50 1ixx s TYR 9 Ca 0.52 2.02 -0.13 0.00 -2.44 0.00 0.00 57.07 57.04 1ixx s TYR 9 Cb -0.10 0.70 0.02 0.00 0.35 0.00 0.00 41.96 42.92 1ixx s TYR 9 CO 0.23 -0.58 0.25 0.39 -1.34 0.00 0.00 175.55 174.51 1ixx n GLU 10 N 5.31 -0.69 -1.07 4.97 1.02 -1.26 -0.55 120.64 128.37 1ixx n GLU 10 Ca -0.11 -0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 56.95 1ixx n GLU 10 Cb 0.50 -1.78 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 1ixx n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ixx n GLY 11 N -1.87 0.53 3.19 0.62 0.00 -1.26 -5.04 105.19 101.37 1ixx n GLY 11 Ca -0.14 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1ixx n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ixx s HIS 12 N -2.08 1.07 -0.05 1.61 3.76 0.29 -5.08 115.29 114.82 1ixx s HIS 12 Ca 0.00 -1.25 0.02 0.00 -0.15 0.00 0.00 55.06 53.68 1ixx s HIS 12 Cb 0.00 -0.58 0.01 0.00 1.11 0.00 0.00 32.58 33.13 1ixx s HIS 12 CO 0.00 -0.50 -0.10 0.00 -0.85 0.00 0.00 174.74 173.28 1ixx s TYR 14 N 0.56 1.71 -0.14 0.00 1.51 0.60 -0.49 117.35 121.09 1ixx s TYR 14 Ca -0.11 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.44 1ixx s TYR 14 Cb -0.14 -0.92 0.06 0.00 -0.11 0.00 0.00 41.96 40.85 1ixx s TYR 14 CO 0.02 0.21 0.34 0.21 -1.11 0.00 0.00 175.55 175.22 1ixx s LYS 15 N -2.09 0.30 -0.03 -0.62 2.20 -0.85 -0.21 119.74 118.44 1ixx s LYS 15 Ca 0.07 0.71 -0.20 0.00 -0.36 0.00 0.00 55.97 56.19 1ixx s LYS 15 Cb -0.09 -0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.14 1ixx s LYS 15 CO 0.04 -0.18 0.57 0.00 -0.36 0.00 0.00 175.35 175.43 1ixx s ALA 16 N 1.52 3.49 -0.12 3.13 0.00 -1.26 -0.48 121.76 128.03 1ixx s ALA 16 Ca -0.08 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1ixx s ALA 16 Cb -0.10 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1ixx s ALA 16 CO -0.11 0.13 -0.18 -0.06 0.00 0.00 0.00 175.76 175.55 1ixx s PHE 17 N -0.02 2.71 -0.45 0.00 0.40 0.11 -4.98 117.98 115.74 1ixx s PHE 17 Ca 0.30 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 1ixx s PHE 17 Cb -0.18 -1.80 0.49 0.00 0.51 0.00 0.00 43.02 42.04 1ixx s PHE 17 CO 0.16 -0.35 1.88 0.39 0.70 0.00 0.00 175.22 178.00 1ixx n GLU 18 N 3.64 2.20 -3.49 0.44 1.02 -1.26 -1.89 120.64 121.30 1ixx n GLU 18 Ca -0.19 -2.63 -0.37 0.00 -0.02 0.00 0.00 57.16 53.95 1ixx n GLU 18 Cb 0.53 -2.03 -0.08 0.00 -0.02 0.00 0.00 31.44 29.83 1ixx n GLU 18 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ixx s LYS 19 N -2.96 4.14 -0.74 3.49 1.02 -1.26 -4.97 119.74 118.47 1ixx s LYS 19 Ca 0.51 0.03 -0.22 0.00 0.02 0.00 0.00 55.97 56.30 1ixx s LYS 19 Cb 0.41 -3.53 0.08 0.00 -0.52 0.00 0.00 37.83 34.27 1ixx s LYS 19 CO 0.05 0.02 1.06 0.71 -0.92 0.00 0.00 175.35 176.26 1ixx s TYR 20 N 1.16 2.70 0.45 3.18 1.51 -1.26 -4.10 117.35 120.99 1ixx s TYR 20 Ca 0.15 -0.66 0.05 0.00 -1.01 0.00 0.00 57.07 55.60 1ixx s TYR 20 Cb -0.14 -4.35 -0.05 0.00 -0.11 0.00 0.00 41.96 37.30 1ixx s TYR 20 CO 0.06 -1.69 0.01 0.15 -1.11 0.00 0.00 175.55 172.97 1ixx s LYS 21 N 4.07 2.05 0.17 -0.62 1.02 -0.74 -4.58 119.74 121.11 1ixx s LYS 21 Ca 0.27 -2.23 -0.14 0.00 0.02 0.00 0.00 55.97 53.89 1ixx s LYS 21 Cb -0.13 -1.59 -0.07 0.00 -0.52 0.00 0.00 37.83 35.52 1ixx s LYS 21 CO 0.06 -0.17 0.57 0.99 -0.92 0.00 0.00 175.35 175.87 1ixx s THR 22 N -2.78 4.84 0.20 2.17 2.01 -1.25 -0.32 115.64 120.51 1ixx s THR 22 Ca 0.23 0.81 -0.14 0.00 0.31 0.00 0.00 61.69 62.90 1ixx s THR 22 Cb 0.07 -3.72 0.22 0.00 0.01 0.00 0.00 72.50 69.08 1ixx s THR 22 CO 0.12 0.18 1.33 1.87 -0.69 0.00 0.00 174.62 177.43 1ixx n TRP 23 N 0.63 0.05 -0.27 4.92 -0.00 -1.16 0.53 117.44 122.14 1ixx n TRP 23 Ca -0.04 1.06 0.05 0.00 -0.00 0.00 0.00 57.50 58.57 1ixx n TRP 23 Cb 0.52 -0.83 0.28 0.00 -0.00 0.00 0.00 31.31 31.27 1ixx n TRP 23 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 1ixx h GLU 24 N 0.00 0.90 0.00 5.87 9.09 -1.94 -1.37 114.58 127.13 1ixx h GLU 24 Ca 0.31 -0.05 -0.15 0.00 0.05 0.00 0.00 59.36 59.51 1ixx h GLU 24 Cb 0.52 -0.20 -0.02 0.00 -1.65 0.00 0.00 28.75 27.39 1ixx h GLU 24 CO -0.85 0.60 -0.87 -0.44 0.05 0.00 0.00 179.01 177.49 1ixx h ASP 25 N 0.93 0.00 -0.28 3.06 3.32 -0.30 -2.63 116.42 120.53 1ixx h ASP 25 Ca 0.37 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.33 1ixx h ASP 25 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1ixx h ASP 25 CO -0.14 0.67 -0.20 0.00 -1.72 0.00 0.00 179.24 177.85 1ixx h ALA 26 N 1.33 0.39 -0.88 3.45 0.00 0.04 -0.94 119.26 122.65 1ixx h ALA 26 Ca -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ixx h ALA 26 Cb 1.56 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1ixx h ALA 26 CO 0.08 0.33 0.50 1.49 0.00 0.00 0.00 179.25 181.65 1ixx h GLU 27 N 0.35 1.22 0.10 0.00 4.57 -1.32 -2.25 114.58 117.26 1ixx h GLU 27 Ca 0.05 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1ixx h GLU 27 Cb 0.74 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1ixx h GLU 27 CO 0.05 0.88 -0.17 -0.09 -1.18 0.00 0.00 179.01 178.51 1ixx h ARG 28 N 1.23 -0.32 -0.28 1.92 9.65 -1.06 -1.92 114.38 123.59 1ixx h ARG 28 Ca 0.31 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.28 1ixx h ARG 28 Cb 0.01 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.59 1ixx h ARG 28 CO -0.05 -0.21 -0.14 0.28 2.80 0.00 0.00 179.97 182.65 1ixx h VAL 29 N -0.33 0.57 -0.81 0.20 2.07 -0.76 -1.39 116.25 115.80 1ixx h VAL 29 Ca 0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1ixx h VAL 29 Cb 0.35 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1ixx h VAL 29 CO -0.09 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.02 1ixx h THR 31 N 0.72 1.38 -0.07 0.00 1.35 -0.56 -3.09 112.91 112.63 1ixx h THR 31 Ca 0.38 -2.06 -0.16 0.00 -0.55 0.00 0.00 66.41 64.02 1ixx h THR 31 Cb 0.48 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1ixx h THR 31 CO -0.15 0.62 -0.65 -0.33 -0.25 0.00 0.00 175.52 174.76 1ixx h GLU 32 N 0.27 0.28 0.00 4.72 5.08 -0.15 -3.35 114.58 121.42 1ixx h GLU 32 Ca -0.02 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1ixx h GLU 32 Cb 1.23 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1ixx h GLU 32 CO 0.11 0.83 -0.35 0.37 -1.00 0.00 0.00 179.01 178.98 1ixx h GLN 33 N 0.20 0.00 0.00 2.33 5.75 -0.69 -3.49 115.11 119.21 1ixx h GLN 33 Ca -0.01 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1ixx h GLN 33 Cb 1.18 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 1ixx h GLN 33 CO 0.10 0.35 0.27 0.00 -2.65 0.00 0.00 178.83 176.90 1ixx n ALA 34 N -2.31 -1.49 -1.12 3.38 0.00 -1.21 -5.03 120.51 112.73 1ixx n ALA 34 Ca -0.01 -0.88 -0.23 0.00 0.00 0.00 0.00 53.44 52.32 1ixx n ALA 34 Cb 0.47 0.65 -0.11 0.00 0.00 0.00 0.00 19.45 20.46 1ixx n ALA 34 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ixx n LYS 35 N -0.43 0.05 -3.02 0.00 2.85 -1.26 -2.76 118.16 113.58 1ixx n LYS 35 Ca -0.05 -1.24 -0.17 0.00 -1.05 0.00 0.00 58.31 55.80 1ixx n LYS 35 Cb 0.43 -3.07 0.04 0.00 -0.65 0.00 0.00 35.03 31.78 1ixx n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ixx n GLY 36 N 5.48 -0.18 3.79 2.58 0.00 -1.26 -4.94 105.19 110.65 1ixx n GLY 36 Ca 0.38 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1ixx n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ixx s ALA 37 N -3.10 2.22 0.37 4.61 0.00 -1.11 -4.88 121.76 119.87 1ixx s ALA 37 Ca 0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.18 1ixx s ALA 37 Cb -0.14 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1ixx s ALA 37 CO 0.38 -1.73 0.59 -1.01 0.00 0.00 0.00 175.76 173.99 1ixx s HIS 38 N -3.05 0.84 0.38 0.00 3.76 -0.36 -3.74 115.29 113.13 1ixx s HIS 38 Ca 0.61 -1.21 -0.26 0.00 -0.15 0.00 0.00 55.06 54.05 1ixx s HIS 38 Cb -0.15 0.20 -0.09 0.00 1.11 0.00 0.00 32.58 33.65 1ixx s HIS 38 CO 0.55 -1.32 1.22 -0.51 -0.85 0.00 0.00 174.74 173.84 1ixx s LEU 39 N -3.21 4.26 0.33 0.89 1.43 -1.26 -0.24 118.68 120.87 1ixx s LEU 39 Ca 0.26 2.48 -0.26 0.00 -1.03 0.00 0.00 54.13 55.58 1ixx s LEU 39 Cb -0.02 -3.91 -0.13 0.00 0.03 0.00 0.00 46.19 42.16 1ixx s LEU 39 CO 0.19 -0.67 0.89 0.55 0.23 0.00 0.00 176.35 177.54 1ixx n VAL 40 N 0.27 2.05 -4.03 -1.59 3.14 -0.05 -4.10 118.33 114.01 1ixx n VAL 40 Ca 0.03 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.58 1ixx n VAL 40 Cb 0.45 -0.87 -0.15 0.00 -1.06 0.00 0.00 33.84 32.21 1ixx n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1ixx s SER 41 N -0.70 4.15 -0.48 6.55 1.04 -1.26 -0.03 113.70 122.97 1ixx s SER 41 Ca 0.61 -1.04 -0.25 0.00 0.48 0.00 0.00 55.95 55.75 1ixx s SER 41 Cb -0.67 -1.59 0.03 0.00 0.10 0.00 0.00 66.02 63.89 1ixx s SER 41 CO 0.59 -0.13 0.90 -0.63 0.98 0.00 0.00 173.24 174.94 1ixx s ILE 42 N 1.23 4.49 -0.95 -1.02 -1.09 -1.26 -4.88 121.20 117.72 1ixx s ILE 42 Ca -0.02 0.56 0.10 0.00 -2.23 0.00 0.00 60.65 59.06 1ixx s ILE 42 Cb -0.17 -4.44 0.22 0.00 -1.58 0.00 0.00 42.46 36.49 1ixx s ILE 42 CO -0.06 -0.88 1.12 -0.62 -1.23 0.00 0.00 174.94 173.26 1ixx n GLU 43 N 7.14 2.20 -3.58 2.79 1.02 -1.26 -5.01 120.64 123.94 1ixx n GLU 43 Ca 0.04 -1.75 -0.06 0.00 -0.02 0.00 0.00 57.16 55.37 1ixx n GLU 43 Cb 0.48 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 1ixx n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ixx s SER 44 N -0.95 -0.27 0.35 1.62 1.04 -1.26 -5.02 113.70 109.20 1ixx s SER 44 Ca 0.18 -0.10 0.11 0.00 0.48 0.00 0.00 55.95 56.62 1ixx s SER 44 Cb 0.10 0.36 0.64 0.00 0.10 0.00 0.00 66.02 67.22 1ixx s SER 44 CO 0.14 -0.61 1.79 0.77 0.98 0.00 0.00 173.24 176.31 1ixx h SER 45 N 2.00 0.07 -0.68 7.02 4.64 -1.98 -0.88 113.55 123.74 1ixx h SER 45 Ca -0.21 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 1ixx h SER 45 Cb 1.23 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1ixx h SER 45 CO 0.28 0.45 0.20 1.23 -0.87 0.00 0.00 176.83 178.13 1ixx h GLY 46 N 1.17 1.14 1.38 -0.77 0.00 -1.99 -0.22 103.07 103.77 1ixx h GLY 46 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.52 1ixx h GLY 46 CO 0.05 0.64 -0.34 -2.09 0.00 0.00 0.00 176.54 174.81 1ixx h GLU 47 N 1.00 0.70 -0.73 4.80 4.81 -1.85 -1.08 114.58 122.22 1ixx h GLU 47 Ca 0.22 -0.33 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1ixx h GLU 47 Cb 0.31 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1ixx h GLU 47 CO -0.01 0.93 0.46 0.00 -0.73 0.00 0.00 179.01 179.67 1ixx h ALA 48 N 1.04 0.96 -0.26 2.92 0.00 -0.34 -0.19 119.26 123.39 1ixx h ALA 48 Ca 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ixx h ALA 48 Cb 0.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ixx h ALA 48 CO 0.07 0.24 -0.04 -0.44 0.00 0.00 0.00 179.25 179.08 1ixx h ASP 49 N 0.89 0.48 -0.04 0.00 3.32 -0.84 -2.39 116.42 117.84 1ixx h ASP 49 Ca 0.30 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 57.03 1ixx h ASP 49 Cb 0.03 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1ixx h ASP 49 CO -0.12 0.72 -0.21 0.15 -1.72 0.00 0.00 179.24 178.06 1ixx h PHE 50 N 0.24 -0.57 -1.01 4.55 3.57 -0.30 -0.09 116.94 123.33 1ixx h PHE 50 Ca 0.07 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1ixx h PHE 50 Cb 0.49 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1ixx h PHE 50 CO 0.05 -0.30 0.66 0.28 -2.23 0.00 0.00 178.31 176.77 1ixx h VAL 51 N -0.32 1.23 -0.37 1.41 2.07 -1.09 0.39 116.25 119.58 1ixx h VAL 51 Ca 0.07 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1ixx h VAL 51 Cb 0.42 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1ixx h VAL 51 CO -0.22 0.24 0.16 0.00 0.02 0.00 0.00 177.57 177.77 1ixx h ALA 52 N 1.38 0.47 -0.59 1.67 0.00 -0.84 0.13 119.26 121.48 1ixx h ALA 52 Ca 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ixx h ALA 52 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1ixx h ALA 52 CO -0.09 0.05 0.28 0.37 0.00 0.00 0.00 179.25 179.86 1ixx h GLN 53 N 0.45 0.86 0.02 0.00 5.75 -0.60 -2.24 115.11 119.33 1ixx h GLN 53 Ca 0.12 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1ixx h GLN 53 Cb 0.15 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1ixx h GLN 53 CO -0.01 0.70 -0.03 1.25 -2.65 0.00 0.00 178.83 178.09 1ixx h LEU 54 N 0.81 -0.08 -0.31 -2.39 5.85 -0.50 -0.23 115.31 118.45 1ixx h LEU 54 Ca 0.20 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1ixx h LEU 54 Cb 0.13 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1ixx h LEU 54 CO -0.02 -0.05 0.10 0.58 -0.34 0.00 0.00 178.44 178.71 1ixx h VAL 55 N -0.06 0.91 -0.33 1.05 2.07 -0.82 -1.49 116.25 117.58 1ixx h VAL 55 Ca 0.01 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1ixx h VAL 55 Cb 0.07 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1ixx h VAL 55 CO -0.02 0.04 -0.27 0.71 0.02 0.00 0.00 177.57 178.05 1ixx h THR 56 N 0.24 1.29 -0.25 2.57 1.35 -1.31 -2.53 112.91 114.27 1ixx h THR 56 Ca 0.14 -1.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.54 1ixx h THR 56 Cb 0.12 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1ixx h THR 56 CO -0.15 0.47 0.06 -0.61 -0.25 0.00 0.00 175.52 175.03 1ixx h GLN 57 N 0.53 0.41 -0.34 4.72 4.15 -0.89 -3.28 115.11 120.41 1ixx h GLN 57 Ca 0.06 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1ixx h GLN 57 Cb 0.84 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1ixx h GLN 57 CO 0.07 0.51 0.00 0.09 -1.93 0.00 0.00 178.83 177.57 1ixx n ASN 58 N -4.71 3.03 -4.41 -0.69 4.13 -0.58 -4.97 115.26 107.06 1ixx n ASN 58 Ca -0.03 -1.93 -0.32 0.00 1.68 0.00 0.00 54.58 53.98 1ixx n ASN 58 Cb 0.18 -0.22 -0.14 0.00 -1.54 0.00 0.00 39.78 38.06 1ixx n ASN 58 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1ixx s MET 59 N -1.56 2.31 0.00 3.52 -1.94 -0.95 -5.03 119.30 115.64 1ixx s MET 59 Ca 0.37 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 1ixx s MET 59 Cb 0.21 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.83 1ixx s MET 59 CO 0.30 0.59 0.37 1.17 -0.01 0.00 0.00 175.02 177.44 1ixx n LYS 60 N 2.29 0.00 -2.98 2.03 4.81 -1.26 -4.62 118.16 118.43 1ixx n LYS 60 Ca -0.17 0.35 -0.44 0.00 -0.87 0.00 0.00 58.31 57.18 1ixx n LYS 60 Cb 0.52 -1.07 -0.03 0.00 0.02 0.00 0.00 35.03 34.47 1ixx n LYS 60 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ixx s ARG 61 N -1.43 3.52 -0.05 1.64 0.52 -1.26 -4.88 118.95 117.01 1ixx s ARG 61 Ca 0.00 -1.73 0.01 0.00 -0.52 0.00 0.00 55.73 53.49 1ixx s ARG 61 Cb 0.00 -4.76 0.08 0.00 0.52 0.00 0.00 34.95 30.79 1ixx s ARG 61 CO 0.00 -1.71 1.03 1.28 0.02 0.00 0.00 175.30 175.92 1ixx n LEU 62 N 6.35 3.12 -1.38 2.53 7.99 -1.26 -4.11 117.00 130.24 1ixx n LEU 62 Ca 0.18 -1.58 -0.09 0.00 -0.01 0.00 0.00 56.01 54.51 1ixx n LEU 62 Cb 0.48 -0.54 0.19 0.00 -0.11 0.00 0.00 43.42 43.45 1ixx n LEU 62 CO 0.50 0.52 0.80 -0.90 -1.51 0.00 0.00 177.39 176.80 1ixx n ASP 63 N 0.27 2.74 -2.19 -1.43 5.68 -1.26 -4.46 116.55 115.88 1ixx n ASP 63 Ca 0.06 -3.77 -0.08 0.00 -0.50 0.00 0.00 54.79 50.51 1ixx n ASP 63 Cb 0.59 -0.68 -0.02 0.00 -1.14 0.00 0.00 41.12 39.87 1ixx n ASP 63 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1ixx n PHE 64 N -1.13 0.03 -4.03 2.11 3.72 -1.26 -5.05 117.46 111.85 1ixx n PHE 64 Ca 0.39 -0.82 -0.35 0.00 -0.05 0.00 0.00 57.45 56.62 1ixx n PHE 64 Cb 1.15 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.63 1ixx n PHE 64 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1ixx s TYR 65 N -2.03 3.42 -0.20 1.38 2.02 -1.26 -4.42 117.35 116.26 1ixx s TYR 65 Ca 0.07 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1ixx s TYR 65 Cb 0.00 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1ixx s TYR 65 CO 0.05 0.62 -0.15 -1.50 -1.57 0.00 0.00 175.55 173.00 1ixx s ILE 66 N -1.12 2.38 0.30 2.71 2.07 0.12 -3.64 121.20 124.02 1ixx s ILE 66 Ca 0.20 -0.95 -0.30 0.00 -1.41 0.00 0.00 60.65 58.19 1ixx s ILE 66 Cb -0.12 -2.08 -0.12 0.00 0.13 0.00 0.00 42.46 40.27 1ixx s ILE 66 CO 0.10 0.42 1.52 0.79 -1.91 0.00 0.00 174.94 175.86 1ixx n TRP 67 N 4.63 2.68 -4.52 3.50 5.03 -0.74 -0.44 117.44 127.58 1ixx n TRP 67 Ca -0.19 0.34 -0.25 0.00 3.03 0.00 0.00 57.50 60.43 1ixx n TRP 67 Cb 0.49 -2.55 -0.10 0.00 -1.03 0.00 0.00 31.31 28.12 1ixx n TRP 67 CO 0.00 0.00 0.00 0.96 -0.03 0.00 0.00 177.69 178.62 1ixx s ILE 68 N -0.24 2.19 -0.69 -0.99 -4.36 -1.13 -3.51 121.20 112.47 1ixx s ILE 68 Ca 0.63 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1ixx s ILE 68 Cb -0.53 -2.57 0.06 0.00 1.25 0.00 0.00 42.46 40.67 1ixx s ILE 68 CO 0.52 -0.25 0.73 0.61 0.24 0.00 0.00 174.94 176.79 1ixx n GLY 69 N -0.74 1.78 3.55 6.27 0.00 0.96 -4.70 105.19 112.31 1ixx n GLY 69 Ca -0.05 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1ixx n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ixx s LEU 70 N -0.23 3.47 0.30 0.99 2.96 -1.26 -5.00 118.68 119.91 1ixx s LEU 70 Ca 0.04 -0.05 -0.14 0.00 -0.22 0.00 0.00 54.13 53.76 1ixx s LEU 70 Cb 0.03 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.88 1ixx s LEU 70 CO 0.01 0.17 0.61 0.00 -1.32 0.00 0.00 176.35 175.82 1ixx s ARG 71 N 0.39 1.81 -0.19 1.98 1.70 -1.26 -2.68 118.95 120.70 1ixx s ARG 71 Ca -0.01 -1.29 -0.26 0.00 -0.47 0.00 0.00 55.73 53.71 1ixx s ARG 71 Cb -0.13 0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1ixx s ARG 71 CO 0.02 -0.80 0.85 0.08 -1.08 0.00 0.00 175.30 174.37 1ixx s VAL 72 N -3.51 4.85 -0.05 4.99 1.01 -0.78 -5.02 120.40 121.90 1ixx s VAL 72 Ca 0.19 1.66 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 1ixx s VAL 72 Cb -0.03 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1ixx s VAL 72 CO 0.11 -0.01 0.91 -1.58 0.00 0.00 0.00 175.10 174.52 1ixx s GLN 73 N 2.39 4.49 0.00 2.72 2.00 -1.26 -4.80 119.66 125.19 1ixx s GLN 73 Ca 0.38 1.25 0.00 0.00 -2.00 0.00 0.00 55.36 54.99 1ixx s GLN 73 Cb -0.16 -3.48 0.00 0.00 0.80 0.00 0.00 33.01 30.17 1ixx s GLN 73 CO 0.11 -0.09 0.00 0.41 -0.50 0.00 0.00 175.29 175.22 1ixx n GLY 74 N 3.03 1.83 3.56 2.59 0.00 -1.26 -4.90 105.19 110.04 1ixx n GLY 74 Ca 0.05 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1ixx n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ixx s LYS 75 N -5.03 3.17 0.06 1.61 -0.14 -1.26 -4.93 119.74 113.21 1ixx s LYS 75 Ca 0.00 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 54.04 1ixx s LYS 75 Cb 0.00 -5.04 -0.03 0.00 -1.68 0.00 0.00 37.83 31.09 1ixx s LYS 75 CO 0.00 -2.57 -0.17 0.14 -0.76 0.00 0.00 175.35 171.99 1ixx s VAL 76 N 6.84 1.36 -0.17 3.17 -7.23 -1.26 -5.06 120.40 118.05 1ixx s VAL 76 Ca 0.53 -1.25 -0.24 0.00 -1.81 0.00 0.00 61.98 59.21 1ixx s VAL 76 Cb -0.04 -1.24 -0.23 0.00 0.56 0.00 0.00 36.38 35.44 1ixx s VAL 76 CO -0.02 -0.04 0.48 0.11 -0.31 0.00 0.00 175.10 175.33 1ixx h LYS 77 N 4.54 0.02 -3.86 4.82 1.79 -2.02 -3.48 116.57 118.39 1ixx h LYS 77 Ca -0.42 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 57.89 1ixx h LYS 77 Cb 1.18 0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 31.67 1ixx h LYS 77 CO 0.42 1.02 -0.55 1.14 -1.08 0.00 0.00 179.45 180.40 1ixx s GLN 78 N -2.31 0.58 -0.00 3.15 0.00 -1.26 -4.89 119.66 114.92 1ixx s GLN 78 Ca -0.24 -0.80 0.16 0.00 -0.00 0.00 0.00 55.36 54.49 1ixx s GLN 78 Cb 0.02 0.22 -0.19 0.00 0.00 0.00 0.00 33.01 33.07 1ixx s GLN 78 CO 0.65 -0.14 0.65 0.00 0.00 0.00 0.00 175.29 176.45 1ixx s ASN 80 N -2.69 6.72 0.00 0.00 3.84 -1.26 -4.92 114.94 116.64 1ixx s ASN 80 Ca 0.05 0.68 0.26 0.00 0.21 0.00 0.00 52.86 54.05 1ixx s ASN 80 Cb 0.12 -2.47 1.14 0.00 -0.55 0.00 0.00 41.25 39.49 1ixx s ASN 80 CO 0.67 -0.83 1.78 -1.20 -2.79 0.00 0.00 177.10 174.73 1ixx n SER 81 N 6.72 1.05 -4.10 -4.21 7.64 -1.26 -4.87 113.62 114.61 1ixx n SER 81 Ca 0.08 -1.45 -0.20 0.00 1.01 0.00 0.00 58.87 58.30 1ixx n SER 81 Cb 0.48 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.51 1ixx n SER 81 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ixx s GLU 82 N -1.94 0.96 0.70 1.43 2.02 -1.26 -0.76 118.70 119.85 1ixx s GLU 82 Ca 0.37 -0.54 -0.11 0.00 0.02 0.00 0.00 54.97 54.71 1ixx s GLU 82 Cb 0.19 -0.94 0.02 0.00 0.10 0.00 0.00 34.13 33.50 1ixx s GLU 82 CO 0.31 0.25 1.08 -1.58 0.02 0.00 0.00 175.26 175.33 1ixx s TRP 83 N -0.49 3.30 0.53 1.61 0.52 0.40 -4.90 118.94 119.91 1ixx s TRP 83 Ca 0.03 0.98 0.18 0.00 0.02 0.00 0.00 56.10 57.32 1ixx s TRP 83 Cb -0.06 -3.05 1.32 0.00 -1.15 0.00 0.00 33.47 30.53 1ixx s TRP 83 CO 0.00 -1.17 2.13 0.66 0.02 0.00 0.00 176.95 178.59 1ixx h SER 84 N -0.62 0.00 -1.40 2.95 4.64 -2.01 -1.91 113.55 115.20 1ixx h SER 84 Ca -0.45 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.25 1ixx h SER 84 Cb 1.26 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.14 1ixx h SER 84 CO 0.64 0.00 0.83 -0.90 -0.87 0.00 0.00 176.83 176.52 1ixx n ASP 85 N -4.48 6.98 0.00 4.97 5.68 -1.26 -4.87 116.55 123.58 1ixx n ASP 85 Ca -0.01 -3.40 0.00 0.00 -0.50 0.00 0.00 54.79 50.88 1ixx n ASP 85 Cb 0.17 -1.20 0.00 0.00 -1.14 0.00 0.00 41.12 38.96 1ixx n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ixx n GLY 86 N 0.52 0.00 3.79 6.12 0.00 -0.72 -4.91 105.19 110.00 1ixx n GLY 86 Ca 0.52 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 1ixx n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ixx s SER 87 N -0.70 5.78 -0.04 1.61 1.04 -1.25 -4.70 113.70 115.43 1ixx s SER 87 Ca 0.00 1.89 -0.27 0.00 0.48 0.00 0.00 55.95 58.05 1ixx s SER 87 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1ixx s SER 87 CO 0.00 -1.17 0.86 -0.44 0.98 0.00 0.00 173.24 173.47 1ixx s SER 88 N -2.53 7.20 -0.46 7.02 0.01 -1.26 -0.45 113.70 123.23 1ixx s SER 88 Ca 0.66 1.45 -0.28 0.00 1.31 0.00 0.00 55.95 59.09 1ixx s SER 88 Cb -0.17 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1ixx s SER 88 CO 0.34 -0.21 1.71 -0.69 0.41 0.00 0.00 173.24 174.80 1ixx s VAL 89 N 1.01 3.54 -0.01 3.43 1.01 0.06 -4.76 120.40 124.67 1ixx s VAL 89 Ca 0.46 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.86 1ixx s VAL 89 Cb -0.19 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1ixx s VAL 89 CO 0.23 -0.71 -0.10 -1.54 0.00 0.00 0.00 175.10 172.97 1ixx n SER 90 N 10.78 0.99 -4.71 3.32 3.41 -1.26 -4.96 113.62 121.19 1ixx n SER 90 Ca 0.20 0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.54 1ixx n SER 90 Cb 0.49 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1ixx n SER 90 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1ixx s TYR 91 N -1.93 3.44 0.05 7.33 5.04 -1.26 -5.04 117.35 124.98 1ixx s TYR 91 Ca -0.08 1.31 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 1ixx s TYR 91 Cb 0.01 -3.42 -0.03 0.00 0.35 0.00 0.00 41.96 38.88 1ixx s TYR 91 CO 0.12 -1.26 -0.10 -1.83 -1.34 0.00 0.00 175.55 171.14 1ixx s GLU 92 N 1.00 0.63 -0.33 4.97 4.04 -1.26 -5.07 118.70 122.68 1ixx s GLU 92 Ca 0.58 -0.82 0.16 0.00 0.04 0.00 0.00 54.97 54.94 1ixx s GLU 92 Cb -0.30 -0.48 0.45 0.00 0.02 0.00 0.00 34.13 33.82 1ixx s GLU 92 CO 0.29 0.10 1.02 -1.71 -1.84 0.00 0.00 175.26 173.13 1ixx n ASN 93 N 1.42 0.85 -4.77 0.83 5.15 -1.26 -5.12 115.26 112.36 1ixx n ASN 93 Ca -0.22 -2.66 -0.38 0.00 -0.60 0.00 0.00 54.58 50.72 1ixx n ASN 93 Cb 0.54 -0.26 -0.02 0.00 -0.53 0.00 0.00 39.78 39.52 1ixx n ASN 93 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1ixx s TRP 94 N -2.54 2.99 -0.23 1.20 0.52 -1.26 -5.00 118.94 114.63 1ixx s TRP 94 Ca 0.26 1.53 -0.22 0.00 0.02 0.00 0.00 56.10 57.69 1ixx s TRP 94 Cb 0.45 -3.42 -0.02 0.00 -1.15 0.00 0.00 33.47 29.34 1ixx s TRP 94 CO 0.02 -1.45 0.71 0.42 0.02 0.00 0.00 176.95 176.67 1ixx s ILE 95 N -1.43 4.94 0.48 2.03 1.01 -1.26 -4.93 121.20 122.03 1ixx s ILE 95 Ca 0.59 1.32 0.32 0.00 0.00 0.00 0.00 60.65 62.88 1ixx s ILE 95 Cb -0.31 -4.01 0.52 0.00 0.01 0.00 0.00 42.46 38.67 1ixx s ILE 95 CO 0.38 0.01 1.74 -0.08 0.00 0.00 0.00 174.94 177.00 1ixx h GLU 96 N 7.69 0.12 0.00 2.79 4.22 -1.98 0.50 114.58 127.93 1ixx h GLU 96 Ca -0.27 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.16 1ixx h GLU 96 Cb 1.12 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ixx h GLU 96 CO 0.81 0.08 0.00 0.00 -2.18 0.00 0.00 179.01 177.72 1ixx n ALA 97 N -2.66 2.27 0.88 2.92 0.00 -1.26 -3.06 120.51 119.60 1ixx n ALA 97 Ca 0.30 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.78 1ixx n ALA 97 Cb 1.26 -1.45 0.46 0.00 0.00 0.00 0.00 19.45 19.71 1ixx n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ixx n GLU 98 N -1.56 0.09 -2.88 0.00 -0.58 0.18 -4.52 120.64 111.36 1ixx n GLU 98 Ca 0.07 0.06 -0.43 0.00 -0.42 0.00 0.00 57.16 56.43 1ixx n GLU 98 Cb 0.33 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1ixx n GLU 98 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1ixx s SER 99 N -3.46 6.42 -1.23 1.62 0.01 -1.17 -4.93 113.70 110.95 1ixx s SER 99 Ca 0.12 -1.55 -0.11 0.00 1.31 0.00 0.00 55.95 55.72 1ixx s SER 99 Cb 0.17 -2.42 0.18 0.00 0.21 0.00 0.00 66.02 64.16 1ixx s SER 99 CO 0.60 -1.25 1.62 0.29 0.41 0.00 0.00 173.24 174.91 1ixx n LYS 100 N 7.18 3.55 -0.37 12.44 4.76 -1.26 -4.43 118.16 140.03 1ixx n LYS 100 Ca 0.12 -3.77 0.09 0.00 -2.87 0.00 0.00 58.31 51.88 1ixx n LYS 100 Cb 0.47 -2.94 0.28 0.00 -1.84 0.00 0.00 35.03 31.00 1ixx n LYS 100 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ixx n THR 101 N 3.78 1.02 -4.38 -0.18 -2.24 -1.22 -4.05 114.28 107.00 1ixx n THR 101 Ca 0.37 -0.86 -0.25 0.00 -2.27 0.00 0.00 64.05 61.04 1ixx n THR 101 Cb 0.39 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.82 1ixx n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ixx s LEU 103 N -3.11 2.30 0.21 0.00 1.02 -1.09 0.02 118.68 118.03 1ixx s LEU 103 Ca 0.26 -0.68 -0.14 0.00 0.02 0.00 0.00 54.13 53.59 1ixx s LEU 103 Cb -0.07 -1.27 0.01 0.00 0.02 0.00 0.00 46.19 44.88 1ixx s LEU 103 CO 0.14 0.21 0.46 -0.83 0.02 0.00 0.00 176.35 176.35 1ixx s GLY 104 N -1.78 0.26 0.16 -3.19 0.00 -0.45 -2.86 107.32 99.47 1ixx s GLY 104 Ca 0.14 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.28 1ixx s GLY 104 CO 0.05 -0.52 0.24 1.08 0.00 0.00 0.00 173.10 173.95 1ixx s LEU 105 N -2.95 4.15 0.11 0.66 1.43 0.41 -0.38 118.68 122.12 1ixx s LEU 105 Ca 0.16 0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.23 1ixx s LEU 105 Cb -0.00 -2.73 -0.00 0.00 0.03 0.00 0.00 46.19 43.48 1ixx s LEU 105 CO 0.02 0.05 0.22 -1.83 0.23 0.00 0.00 176.35 175.04 1ixx s GLU 106 N -3.25 0.94 0.18 1.70 -1.05 -1.26 -0.70 118.70 115.26 1ixx s GLU 106 Ca 0.33 -1.03 -0.13 0.00 -0.15 0.00 0.00 54.97 53.99 1ixx s GLU 106 Cb -0.11 0.35 0.12 0.00 -0.44 0.00 0.00 34.13 34.06 1ixx s GLU 106 CO 0.27 -0.32 1.79 -0.22 0.95 0.00 0.00 175.26 177.74 1ixx h LYS 107 N 2.68 0.51 -0.73 -4.83 3.64 -1.78 -0.37 116.57 115.69 1ixx h LYS 107 Ca -0.33 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1ixx h LYS 107 Cb 1.21 -0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 32.79 1ixx h LYS 107 CO 0.54 0.34 0.04 1.49 -2.27 0.00 0.00 179.45 179.59 1ixx h GLU 108 N 0.53 0.13 -1.04 1.90 4.81 -1.96 0.18 114.58 119.12 1ixx h GLU 108 Ca 0.21 -0.01 -0.44 0.00 -0.13 0.00 0.00 59.36 58.99 1ixx h GLU 108 Cb 0.10 -0.03 -0.24 0.00 0.63 0.00 0.00 28.75 29.20 1ixx h GLU 108 CO -0.13 0.09 0.56 0.25 -0.73 0.00 0.00 179.01 179.05 1ixx n THR 109 N -5.30 2.88 -3.31 0.32 -2.24 -1.14 -4.90 114.28 100.58 1ixx n THR 109 Ca 0.13 -1.73 -0.21 0.00 -2.27 0.00 0.00 64.05 59.97 1ixx n THR 109 Cb 0.46 -0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 67.95 1ixx n THR 109 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ixx n ASP 110 N -0.73 -3.01 -1.78 3.42 9.92 0.62 -1.51 116.55 123.47 1ixx n ASP 110 Ca 0.48 -0.32 -0.15 0.00 -0.53 0.00 0.00 54.79 54.28 1ixx n ASP 110 Cb 1.26 -2.54 -0.04 0.00 -0.64 0.00 0.00 41.12 39.15 1ixx n ASP 110 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1ixx n PHE 111 N -3.67 -0.62 -0.00 1.24 3.72 -0.16 -4.80 117.46 113.16 1ixx n PHE 111 Ca -0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1ixx n PHE 111 Cb 0.53 -2.92 -0.05 0.00 -0.94 0.00 0.00 39.48 36.10 1ixx n PHE 111 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ixx n ARG 112 N -2.30 0.22 -4.10 -1.08 1.74 -0.57 -4.33 116.66 106.23 1ixx n ARG 112 Ca -0.16 -0.06 -0.28 0.00 -0.77 0.00 0.00 57.85 56.58 1ixx n ARG 112 Cb 0.54 -1.15 -0.07 0.00 -1.02 0.00 0.00 32.46 30.76 1ixx n ARG 112 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ixx s LYS 113 N -2.45 2.74 -0.21 5.56 1.02 -1.21 -5.00 119.74 120.19 1ixx s LYS 113 Ca -0.02 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 1ixx s LYS 113 Cb 0.04 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1ixx s LYS 113 CO 0.27 0.51 0.24 -1.58 -0.92 0.00 0.00 175.35 173.87 1ixx s TRP 114 N -1.57 3.37 0.03 3.18 0.51 -1.26 -4.41 118.94 118.79 1ixx s TRP 114 Ca 0.29 0.41 0.04 0.00 -2.12 0.00 0.00 56.10 54.72 1ixx s TRP 114 Cb -0.11 -2.33 -0.04 0.00 -0.81 0.00 0.00 33.47 30.19 1ixx s TRP 114 CO 0.21 0.12 -0.05 0.14 -0.51 0.00 0.00 176.95 176.87 1ixx s VAL 115 N 0.88 3.79 -0.13 4.03 -7.23 0.49 -4.88 120.40 117.35 1ixx s VAL 115 Ca 0.12 -0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 59.18 1ixx s VAL 115 Cb -0.13 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 1ixx s VAL 115 CO 0.04 0.32 0.99 0.20 -0.31 0.00 0.00 175.10 176.33 1ixx s ASN 116 N -1.67 7.19 0.04 4.85 -0.87 -1.26 -1.34 114.94 121.87 1ixx s ASN 116 Ca 0.19 1.47 -0.02 0.00 -1.57 0.00 0.00 52.86 52.94 1ixx s ASN 116 Cb -0.11 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.55 1ixx s ASN 116 CO 0.10 -0.46 -0.00 0.27 -2.57 0.00 0.00 177.10 174.44 1ixx s ILE 117 N 2.14 0.17 0.19 0.60 -4.36 0.10 -4.91 121.20 115.14 1ixx s ILE 117 Ca 0.47 -1.38 -0.32 0.00 -0.26 0.00 0.00 60.65 59.15 1ixx s ILE 117 Cb -0.18 -1.01 -0.11 0.00 1.25 0.00 0.00 42.46 42.42 1ixx s ILE 117 CO 0.16 -0.76 1.62 -0.47 0.24 0.00 0.00 174.94 175.73 1ixx s TYR 118 N -2.91 2.99 0.64 1.37 5.04 -1.26 -1.90 117.35 121.32 1ixx s TYR 118 Ca -0.02 0.55 0.42 0.00 -2.44 0.00 0.00 57.07 55.57 1ixx s TYR 118 Cb 0.01 -4.01 2.31 0.00 0.35 0.00 0.00 41.96 40.62 1ixx s TYR 118 CO -0.06 -3.72 2.35 0.00 -1.34 0.00 0.00 175.55 172.77 1ixx n GLY 120 N -1.08 -1.12 3.60 0.00 0.00 -1.26 -2.97 105.19 102.36 1ixx n GLY 120 Ca -0.03 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1ixx n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ixx s GLN 121 N -2.56 0.16 -0.25 1.61 -0.21 -0.92 -4.84 119.66 112.65 1ixx s GLN 121 Ca 0.27 1.09 0.01 0.00 0.02 0.00 0.00 55.36 56.75 1ixx s GLN 121 Cb 0.20 -1.66 0.04 0.00 1.00 0.00 0.00 33.01 32.59 1ixx s GLN 121 CO 0.48 -3.07 -0.09 -0.65 -2.12 0.00 0.00 175.29 169.84 1ixx s GLN 122 N -4.61 2.57 0.08 2.91 -0.21 -1.26 -3.85 119.66 115.29 1ixx s GLN 122 Ca 0.67 -1.14 -0.01 0.00 0.02 0.00 0.00 55.36 54.90 1ixx s GLN 122 Cb -0.23 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 1ixx s GLN 122 CO 0.61 -0.47 -0.01 -0.80 -2.12 0.00 0.00 175.29 172.50 1ixx s ASN 123 N 1.22 0.57 1.09 5.90 0.01 0.56 -4.69 114.94 119.60 1ixx s ASN 123 Ca -0.03 -1.06 -0.16 0.00 -0.71 0.00 0.00 52.86 50.90 1ixx s ASN 123 Cb -0.18 0.20 0.24 0.00 0.41 0.00 0.00 41.25 41.92 1ixx s ASN 123 CO -0.06 -0.61 1.14 -2.16 -1.51 0.00 0.00 177.10 173.91 1ixx s PRO 124 N -3.94 -0.33 0.34 -0.60 0.04 -1.24 -1.79 135.00 127.48 1ixx s PRO 124 Ca 0.12 0.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.09 1ixx s PRO 124 Cb 0.07 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.95 1ixx s PRO 124 CO -0.06 -3.14 0.63 -0.59 0.04 0.00 0.00 177.00 173.88 1ixx s PHE 125 N -3.16 0.45 -0.04 0.56 -0.71 -0.79 -1.79 117.98 112.49 1ixx s PHE 125 Ca 0.69 -0.91 0.02 0.00 -1.04 0.00 0.00 56.93 55.69 1ixx s PHE 125 Cb -0.11 0.41 0.01 0.00 -1.21 0.00 0.00 43.02 42.12 1ixx s PHE 125 CO 0.56 -1.30 -0.07 0.08 -1.34 0.00 0.00 175.22 173.14 1ixx s VAL 126 N -2.98 0.72 0.27 -2.49 1.01 -1.23 0.05 120.40 115.75 1ixx s VAL 126 Ca 0.21 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1ixx s VAL 126 Cb -0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1ixx s VAL 126 CO 0.14 0.25 0.24 0.00 0.00 0.00 0.00 175.10 175.73 1ixx s GLU 128 N -3.90 0.28 0.00 0.00 2.12 0.67 -2.00 118.70 115.87 1ixx s GLU 128 Ca 0.35 0.34 0.00 0.00 0.36 0.00 0.00 54.97 56.02 1ixx s GLU 128 Cb -0.08 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1ixx s GLU 128 CO 0.26 -0.04 0.10 0.00 -0.54 0.00 0.00 175.26 175.04