#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 -4.56 2.68 0.10 0.00 1.02 -1.26 -4.97 118.68 111.69 1ixx s LEU 3 Ca 0.56 0.96 -0.31 0.00 0.02 0.00 0.00 54.13 55.35 1ixx s LEU 3 Cb -0.05 -3.59 -0.08 0.00 0.02 0.00 0.00 46.19 42.49 1ixx s LEU 3 CO 0.35 -1.65 1.41 -0.44 0.02 0.00 0.00 176.35 176.04 1ixx s SER 4 N -4.46 6.81 0.00 2.29 0.01 -1.26 -2.28 113.70 114.81 1ixx s SER 4 Ca 0.60 2.31 0.00 0.00 1.31 0.00 0.00 55.95 60.17 1ixx s SER 4 Cb -0.11 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1ixx s SER 4 CO 0.50 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1ixx n GLY 5 N 3.55 0.96 3.71 3.44 0.00 -1.26 -5.03 105.19 110.55 1ixx n GLY 5 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.25 3.41 -0.10 1.61 0.52 -0.97 -4.81 118.94 116.35 1ixx s TRP 6 Ca 0.00 0.46 -0.14 0.00 0.02 0.00 0.00 56.10 56.44 1ixx s TRP 6 Cb 0.00 -2.32 -0.05 0.00 -1.15 0.00 0.00 33.47 29.96 1ixx s TRP 6 CO 0.00 0.17 0.35 -1.12 0.02 0.00 0.00 176.95 176.37 1ixx s SER 7 N 0.66 6.59 0.38 2.95 0.01 -0.41 -4.67 113.70 119.22 1ixx s SER 7 Ca 0.13 0.70 -0.08 0.00 1.31 0.00 0.00 55.95 58.02 1ixx s SER 7 Cb -0.13 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 1ixx s SER 7 CO 0.03 0.18 0.70 -0.94 0.41 0.00 0.00 173.24 173.63 1ixx s SER 8 N -0.13 6.45 -0.30 2.44 1.04 -1.26 -0.79 113.70 121.14 1ixx s SER 8 Ca 0.20 0.95 -0.04 0.00 0.48 0.00 0.00 55.95 57.54 1ixx s SER 8 Cb -0.14 -2.25 0.18 0.00 0.10 0.00 0.00 66.02 63.91 1ixx s SER 8 CO 0.08 -0.37 0.66 -0.47 0.98 0.00 0.00 173.24 174.13 1ixx s TYR 9 N -2.35 -1.43 -1.29 5.02 5.04 -0.41 -4.95 117.35 116.98 1ixx s TYR 9 Ca 0.48 1.71 -0.00 0.00 -2.44 0.00 0.00 57.07 56.82 1ixx s TYR 9 Cb -0.10 0.57 -0.00 0.00 0.35 0.00 0.00 41.96 42.78 1ixx s TYR 9 CO 0.33 -0.77 0.73 0.39 -1.34 0.00 0.00 175.55 174.90 1ixx n GLU 10 N 5.42 -5.04 -3.15 4.97 1.02 -1.26 -3.12 120.64 119.49 1ixx n GLU 10 Ca -0.04 0.65 -0.16 0.00 -0.02 0.00 0.00 57.16 57.58 1ixx n GLU 10 Cb 0.51 -5.25 0.05 0.00 -0.02 0.00 0.00 31.44 26.73 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 -1.52 -0.10 3.39 0.62 0.00 -1.26 -5.03 105.19 101.29 1ixx n GLY 11 Ca -0.30 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.17 -0.10 -0.06 1.61 3.76 -1.18 -5.10 115.29 111.05 1ixx s HIS 12 Ca 0.36 -0.24 0.05 0.00 -0.15 0.00 0.00 55.06 55.09 1ixx s HIS 12 Cb -0.16 0.26 -0.01 0.00 1.11 0.00 0.00 32.58 33.78 1ixx s HIS 12 CO 0.45 -0.77 -0.22 0.00 -0.85 0.00 0.00 174.74 173.34 1ixx s TYR 14 N -0.19 2.00 -0.26 0.00 1.51 0.03 -0.57 117.35 119.87 1ixx s TYR 14 Ca -0.02 -0.41 -0.14 0.00 -1.01 0.00 0.00 57.07 55.49 1ixx s TYR 14 Cb -0.13 -1.06 0.08 0.00 -0.11 0.00 0.00 41.96 40.73 1ixx s TYR 14 CO 0.03 0.30 0.62 0.21 -1.11 0.00 0.00 175.55 175.60 1ixx s LYS 15 N -2.18 0.61 0.06 -0.62 2.20 -0.80 -1.28 119.74 117.73 1ixx s LYS 15 Ca 0.12 1.15 -0.23 0.00 -0.36 0.00 0.00 55.97 56.65 1ixx s LYS 15 Cb -0.09 0.19 -0.06 0.00 -1.51 0.00 0.00 37.83 36.36 1ixx s LYS 15 CO 0.06 -0.16 0.68 0.00 -0.36 0.00 0.00 175.35 175.57 1ixx s ALA 16 N 1.76 3.46 -0.11 3.13 0.00 -1.26 -0.98 121.76 127.75 1ixx s ALA 16 Ca -0.09 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1ixx s ALA 16 Cb -0.07 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.21 1ixx s ALA 16 CO -0.18 0.21 -0.21 -0.06 0.00 0.00 0.00 175.76 175.52 1ixx s PHE 17 N -0.54 2.40 -0.46 0.00 0.40 0.94 -4.99 117.98 115.74 1ixx s PHE 17 Ca 0.34 -1.09 0.06 0.00 -0.60 0.00 0.00 56.93 55.64 1ixx s PHE 17 Cb -0.20 -1.64 0.44 0.00 0.51 0.00 0.00 43.02 42.13 1ixx s PHE 17 CO 0.21 -0.48 1.32 -1.91 0.70 0.00 0.00 175.22 175.06 1ixx n GLU 18 N 3.85 2.69 -2.16 0.44 2.13 -1.26 -2.01 120.64 124.33 1ixx n GLU 18 Ca -0.20 -1.77 -0.31 0.00 0.66 0.00 0.00 57.16 55.54 1ixx n GLU 18 Cb 0.52 -1.84 -0.01 0.00 0.27 0.00 0.00 31.44 30.38 1ixx n GLU 18 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ixx s LYS 19 N -1.96 3.74 -0.49 5.31 1.02 -1.26 -4.90 119.74 121.20 1ixx s LYS 19 Ca 0.32 0.78 0.01 0.00 0.02 0.00 0.00 55.97 57.10 1ixx s LYS 19 Cb 0.25 -2.13 0.13 0.00 -0.52 0.00 0.00 37.83 35.56 1ixx s LYS 19 CO 0.08 -0.41 0.25 0.71 -0.92 0.00 0.00 175.35 175.06 1ixx s TYR 20 N -2.91 3.42 0.34 3.18 2.02 -1.26 -3.29 117.35 118.86 1ixx s TYR 20 Ca 0.56 -2.93 0.08 0.00 -0.37 0.00 0.00 57.07 54.41 1ixx s TYR 20 Cb -0.11 -2.99 -0.07 0.00 -0.40 0.00 0.00 41.96 38.40 1ixx s TYR 20 CO 0.44 -0.84 -0.05 0.15 -1.57 0.00 0.00 175.55 173.67 1ixx s LYS 21 N 0.22 1.78 0.62 -0.62 1.02 -0.96 -4.59 119.74 117.19 1ixx s LYS 21 Ca 0.14 -1.94 -0.13 0.00 0.02 0.00 0.00 55.97 54.06 1ixx s LYS 21 Cb -0.23 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 1ixx s LYS 21 CO -0.03 0.05 1.04 0.95 -0.92 0.00 0.00 175.35 176.44 1ixx s THR 22 N -2.77 4.19 0.22 2.17 -4.23 -1.23 -1.10 115.64 112.88 1ixx s THR 22 Ca 0.33 0.86 -0.14 0.00 -1.18 0.00 0.00 61.69 61.56 1ixx s THR 22 Cb 0.05 -3.54 0.26 0.00 1.34 0.00 0.00 72.50 70.60 1ixx s THR 22 CO 0.16 -0.78 1.60 -0.25 -0.54 0.00 0.00 174.62 174.81 1ixx h TRP 23 N 0.00 -0.49 -0.91 3.99 7.01 -1.59 0.18 115.95 124.14 1ixx h TRP 23 Ca -0.45 0.07 0.03 0.00 2.11 0.00 0.00 58.89 60.65 1ixx h TRP 23 Cb 1.20 0.33 -0.05 0.00 -2.10 0.00 0.00 29.16 28.54 1ixx h TRP 23 CO 0.62 -0.33 0.59 1.05 -2.79 0.00 0.00 178.44 177.58 1ixx h GLU 24 N -0.03 1.11 -0.07 2.65 9.09 -1.93 -1.34 114.58 124.06 1ixx h GLU 24 Ca 0.32 -0.07 -0.03 0.00 0.05 0.00 0.00 59.36 59.64 1ixx h GLU 24 Cb 0.53 -0.25 -0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1ixx h GLU 24 CO -0.73 0.74 -0.07 -0.44 0.05 0.00 0.00 179.01 178.55 1ixx h ASP 25 N 1.15 0.18 -0.91 3.06 3.32 -1.35 -2.52 116.42 119.34 1ixx h ASP 25 Ca 0.36 -0.48 0.15 0.00 0.02 0.00 0.00 57.03 57.07 1ixx h ASP 25 Cb -0.01 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.42 1ixx h ASP 25 CO -0.12 0.63 0.59 0.00 -1.72 0.00 0.00 179.24 178.62 1ixx h ALA 26 N 0.56 1.81 -0.30 3.45 0.00 -0.52 0.12 119.26 124.38 1ixx h ALA 26 Ca 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1ixx h ALA 26 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ixx h ALA 26 CO 0.02 -0.07 -0.38 1.49 0.00 0.00 0.00 179.25 180.31 1ixx h GLU 27 N 0.71 0.70 -0.14 0.00 4.57 -1.20 -2.03 114.58 117.18 1ixx h GLU 27 Ca 0.47 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1ixx h GLU 27 Cb 0.74 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1ixx h GLU 27 CO -0.23 0.96 -0.04 -0.09 -1.18 0.00 0.00 179.01 178.43 1ixx h ARG 28 N 0.58 0.28 -0.75 1.92 9.65 -0.43 -1.80 114.38 123.83 1ixx h ARG 28 Ca 0.05 -0.11 0.03 0.00 -1.10 0.00 0.00 59.98 58.86 1ixx h ARG 28 Cb 0.91 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.42 1ixx h ARG 28 CO 0.08 0.57 0.47 0.28 2.80 0.00 0.00 179.97 184.18 1ixx h VAL 29 N -0.03 1.10 -0.71 0.20 2.07 -0.90 -0.90 116.25 117.08 1ixx h VAL 29 Ca 0.04 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1ixx h VAL 29 Cb 0.47 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1ixx h VAL 29 CO 0.02 0.17 0.42 0.00 0.02 0.00 0.00 177.57 178.19 1ixx h THR 31 N 0.98 1.28 0.00 0.00 1.35 -0.38 -3.05 112.91 113.09 1ixx h THR 31 Ca 0.26 -1.54 -0.06 0.00 -0.55 0.00 0.00 66.41 64.51 1ixx h THR 31 Cb -0.03 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1ixx h THR 31 CO -0.05 0.51 -0.28 -0.33 -0.25 0.00 0.00 175.52 175.12 1ixx h GLU 32 N 0.68 0.00 -0.64 4.72 5.08 -0.60 -3.20 114.58 120.62 1ixx h GLU 32 Ca 0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1ixx h GLU 32 Cb 0.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1ixx h GLU 32 CO 0.09 0.28 0.26 1.96 -1.00 0.00 0.00 179.01 180.60 1ixx h GLN 33 N 0.00 0.95 -3.13 2.33 1.08 -1.19 -3.46 115.11 111.68 1ixx h GLN 33 Ca -0.00 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1ixx h GLN 33 Cb 0.64 -0.16 -0.11 0.00 -0.05 0.00 0.00 27.48 27.80 1ixx h GLN 33 CO 0.04 0.79 0.12 0.00 -0.95 0.00 0.00 178.83 178.83 1ixx s ALA 34 N -5.58 -1.33 0.05 3.87 0.00 -1.21 -5.08 121.76 112.47 1ixx s ALA 34 Ca -0.13 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.75 1ixx s ALA 34 Cb 0.13 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 24.02 1ixx s ALA 34 CO 0.80 -0.76 1.59 0.21 0.00 0.00 0.00 175.76 177.60 1ixx s LYS 35 N -3.79 4.22 -0.08 0.00 2.20 -1.26 -2.30 119.74 118.72 1ixx s LYS 35 Ca 0.03 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1ixx s LYS 35 Cb -0.01 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1ixx s LYS 35 CO -0.10 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 1ixx n GLY 36 N 3.91 0.45 3.83 5.54 0.00 -1.26 -4.98 105.19 112.68 1ixx n GLY 36 Ca 0.15 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.85 3.26 0.04 4.61 0.00 -0.97 -4.75 121.76 122.09 1ixx s ALA 37 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 1ixx s ALA 37 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1ixx s ALA 37 CO 0.00 0.27 0.05 0.72 0.00 0.00 0.00 175.76 176.80 1ixx n HIS 38 N -0.10 -0.56 -2.25 0.00 8.25 -0.58 -3.60 115.22 116.38 1ixx n HIS 38 Ca 0.03 -0.25 -0.34 0.00 -0.26 0.00 0.00 57.72 56.90 1ixx n HIS 38 Cb 0.53 0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.69 1ixx n HIS 38 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ixx s LEU 39 N 0.00 3.69 0.21 2.41 1.43 -1.26 -0.84 118.68 124.31 1ixx s LEU 39 Ca 0.03 2.00 -0.32 0.00 -1.03 0.00 0.00 54.13 54.80 1ixx s LEU 39 Cb -0.00 -4.56 -0.14 0.00 0.03 0.00 0.00 46.19 41.52 1ixx s LEU 39 CO 0.02 -1.11 1.40 0.55 0.23 0.00 0.00 176.35 177.45 1ixx n VAL 40 N -1.47 0.70 -3.88 -1.59 3.14 0.60 -4.23 118.33 111.60 1ixx n VAL 40 Ca 0.10 -0.18 -0.35 0.00 -2.96 0.00 0.00 64.34 60.95 1ixx n VAL 40 Cb 0.52 -1.36 -0.13 0.00 -1.06 0.00 0.00 33.84 31.81 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 0.38 4.96 -0.42 6.55 1.04 -1.26 -0.70 113.70 124.26 1ixx s SER 41 Ca 0.72 -1.27 -0.23 0.00 0.48 0.00 0.00 55.95 55.65 1ixx s SER 41 Cb -0.70 -1.74 0.02 0.00 0.10 0.00 0.00 66.02 63.70 1ixx s SER 41 CO 0.48 -0.28 0.78 -0.63 0.98 0.00 0.00 173.24 174.57 1ixx s ILE 42 N 1.27 4.68 -0.97 -1.02 1.01 -1.26 -4.91 121.20 120.00 1ixx s ILE 42 Ca -0.04 0.59 0.09 0.00 0.00 0.00 0.00 60.65 61.29 1ixx s ILE 42 Cb -0.20 -4.28 0.16 0.00 0.01 0.00 0.00 42.46 38.15 1ixx s ILE 42 CO -0.01 -0.61 0.99 -0.62 0.00 0.00 0.00 174.94 174.70 1ixx n GLU 43 N 6.60 1.51 -3.51 2.79 1.02 -1.26 -5.01 120.64 122.79 1ixx n GLU 43 Ca 0.02 -1.48 -0.13 0.00 -0.02 0.00 0.00 57.16 55.56 1ixx n GLU 43 Cb 0.48 -1.20 -0.04 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 -0.88 -0.51 0.23 1.62 1.04 -1.26 -5.02 113.70 108.92 1ixx s SER 44 Ca 0.15 0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 1ixx s SER 44 Cb 0.09 0.47 0.35 0.00 0.10 0.00 0.00 66.02 67.03 1ixx s SER 44 CO 0.12 -0.64 1.76 0.28 0.98 0.00 0.00 173.24 175.74 1ixx h SER 45 N 2.46 0.35 -0.43 7.02 0.02 -1.98 0.28 113.55 121.27 1ixx h SER 45 Ca -0.26 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1ixx h SER 45 Cb 1.21 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1ixx h SER 45 CO 0.35 0.19 0.26 1.23 -1.14 0.00 0.00 176.83 177.72 1ixx h GLY 46 N 0.51 0.63 1.61 -3.77 0.00 -1.98 0.35 103.07 100.41 1ixx h GLY 46 Ca 0.36 -0.25 -0.20 0.00 0.00 0.00 0.00 47.33 47.23 1ixx h GLY 46 CO -0.31 0.25 -0.84 -2.09 0.00 0.00 0.00 176.54 173.54 1ixx h GLU 47 N 0.60 0.37 -0.77 4.80 4.81 -1.35 0.12 114.58 123.16 1ixx h GLU 47 Ca 0.16 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1ixx h GLU 47 Cb -0.01 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1ixx h GLU 47 CO -0.03 1.02 0.32 0.00 -0.73 0.00 0.00 179.01 179.59 1ixx h ALA 48 N 0.87 0.99 -0.24 2.92 0.00 0.14 -0.26 119.26 123.68 1ixx h ALA 48 Ca -0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1ixx h ALA 48 Cb 1.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ixx h ALA 48 CO 0.14 0.61 -0.12 -0.44 0.00 0.00 0.00 179.25 179.44 1ixx h ASP 49 N 1.10 0.53 0.23 0.00 5.19 -0.24 -1.93 116.42 121.30 1ixx h ASP 49 Ca 0.26 -0.42 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1ixx h ASP 49 Cb 0.20 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1ixx h ASP 49 CO -0.02 0.83 -0.11 0.15 -3.12 0.00 0.00 179.24 176.96 1ixx h PHE 50 N 0.23 -0.29 -0.91 4.55 3.57 -0.64 0.72 116.94 124.16 1ixx h PHE 50 Ca 0.05 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1ixx h PHE 50 Cb 0.63 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 1ixx h PHE 50 CO 0.06 -0.18 0.58 0.28 -2.23 0.00 0.00 178.31 176.82 1ixx h VAL 51 N -0.32 1.10 -0.33 1.41 2.07 -1.09 0.24 116.25 119.34 1ixx h VAL 51 Ca -0.03 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1ixx h VAL 51 Cb 0.24 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1ixx h VAL 51 CO 0.05 0.20 0.14 0.00 0.02 0.00 0.00 177.57 177.98 1ixx h ALA 52 N 1.40 0.42 0.55 1.67 0.00 -1.06 -0.98 119.26 121.26 1ixx h ALA 52 Ca 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ixx h ALA 52 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ixx h ALA 52 CO -0.15 0.00 -0.51 0.37 0.00 0.00 0.00 179.25 178.97 1ixx h GLN 53 N 0.38 -1.01 -0.88 0.00 4.15 0.13 -1.43 115.11 116.45 1ixx h GLN 53 Ca 0.11 0.07 0.16 0.00 0.77 0.00 0.00 58.65 59.75 1ixx h GLN 53 Cb 0.15 0.23 -0.10 0.00 0.21 0.00 0.00 27.48 27.97 1ixx h GLN 53 CO -0.01 -0.67 0.47 1.25 -1.93 0.00 0.00 178.83 177.94 1ixx h LEU 54 N -1.04 0.58 0.28 -2.39 5.85 -0.51 -1.22 115.31 116.85 1ixx h LEU 54 Ca -0.07 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ixx h LEU 54 Cb 0.89 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1ixx h LEU 54 CO -0.04 0.23 -0.13 0.58 -0.34 0.00 0.00 178.44 178.74 1ixx h VAL 55 N 0.65 0.77 0.00 1.05 2.07 -0.74 0.21 116.25 120.26 1ixx h VAL 55 Ca 0.49 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1ixx h VAL 55 Cb 0.70 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1ixx h VAL 55 CO -0.37 0.09 -0.18 0.71 0.02 0.00 0.00 177.57 177.84 1ixx h THR 56 N -0.61 0.73 0.00 2.57 1.35 -0.94 0.51 112.91 116.52 1ixx h THR 56 Ca -0.04 -0.76 -0.24 0.00 -0.55 0.00 0.00 66.41 64.82 1ixx h THR 56 Cb 0.44 1.47 -0.04 0.00 -1.73 0.00 0.00 68.15 68.28 1ixx h THR 56 CO 0.06 0.18 -1.66 0.00 -0.25 0.00 0.00 175.52 173.85 1ixx n GLN 57 N -3.73 0.63 -0.13 4.72 3.00 -0.49 -4.44 117.38 116.94 1ixx n GLN 57 Ca -0.02 0.23 0.05 0.00 -0.01 0.00 0.00 57.00 57.26 1ixx n GLN 57 Cb 0.30 -1.77 0.12 0.00 0.00 0.00 0.00 30.24 28.89 1ixx n GLN 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ixx n ASN 58 N -2.94 2.63 -4.42 1.08 4.13 0.73 -4.99 115.26 111.48 1ixx n ASN 58 Ca -0.15 -1.87 -0.33 0.00 1.68 0.00 0.00 54.58 53.91 1ixx n ASN 58 Cb 0.97 -0.17 -0.14 0.00 -1.54 0.00 0.00 39.78 38.91 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 -0.97 2.76 0.07 3.52 -1.94 0.15 -4.97 119.30 117.92 1ixx s MET 59 Ca 0.19 -0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 53.42 1ixx s MET 59 Cb 0.11 -2.42 -0.28 0.00 2.01 0.00 0.00 34.83 34.24 1ixx s MET 59 CO 0.14 0.48 1.13 0.87 -0.01 0.00 0.00 175.02 177.63 1ixx h LYS 60 N 5.81 0.26 -4.94 2.03 1.57 -1.94 -3.44 116.57 115.92 1ixx h LYS 60 Ca -0.39 -0.44 -0.67 0.00 -1.87 0.00 0.00 60.65 57.28 1ixx h LYS 60 Cb 1.17 0.16 -0.36 0.00 0.08 0.00 0.00 32.23 33.28 1ixx h LYS 60 CO 0.51 1.20 -0.82 1.03 -0.57 0.00 0.00 179.45 180.80 1ixx s ARG 61 N -2.66 2.53 -0.34 3.15 1.81 -1.26 -5.00 118.95 117.18 1ixx s ARG 61 Ca -0.04 -1.15 0.07 0.00 -1.72 0.00 0.00 55.73 52.89 1ixx s ARG 61 Cb 0.07 -2.77 0.50 0.00 -0.45 0.00 0.00 34.95 32.30 1ixx s ARG 61 CO 0.88 -0.43 1.50 1.28 -0.68 0.00 0.00 175.30 177.84 1ixx n LEU 62 N 4.51 4.80 -0.93 2.53 4.77 -1.26 -4.66 117.00 126.76 1ixx n LEU 62 Ca -0.17 -4.04 0.00 0.00 -0.03 0.00 0.00 56.01 51.78 1ixx n LEU 62 Cb 0.45 -0.63 0.20 0.00 -2.33 0.00 0.00 43.42 41.11 1ixx n LEU 62 CO 0.23 1.46 0.59 -0.67 -1.33 0.00 0.00 177.39 177.66 1ixx n ASP 63 N -1.03 2.30 -3.13 -1.43 -0.08 -1.26 -4.50 116.55 107.43 1ixx n ASP 63 Ca 0.40 -3.75 -0.18 0.00 -1.51 0.00 0.00 54.79 49.75 1ixx n ASP 63 Cb 1.00 -0.59 -0.06 0.00 2.34 0.00 0.00 41.12 43.82 1ixx n ASP 63 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1ixx n PHE 64 N -1.11 -0.07 -3.73 -0.67 3.72 -1.26 -5.07 117.46 109.28 1ixx n PHE 64 Ca 0.27 -2.01 -0.33 0.00 -0.05 0.00 0.00 57.45 55.33 1ixx n PHE 64 Cb 0.90 0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 39.45 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 -2.78 3.54 -0.19 1.38 2.02 -1.26 -4.57 117.35 115.49 1ixx s TYR 65 Ca 0.19 0.56 -0.03 0.00 -0.37 0.00 0.00 57.07 57.43 1ixx s TYR 65 Cb 0.01 -1.99 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1ixx s TYR 65 CO 0.14 0.55 -0.06 0.96 -1.57 0.00 0.00 175.55 175.56 1ixx s ILE 66 N -1.43 3.35 0.49 2.71 -5.25 -0.64 -3.49 121.20 116.94 1ixx s ILE 66 Ca 0.33 -0.52 -0.24 0.00 -0.99 0.00 0.00 60.65 59.23 1ixx s ILE 66 Cb -0.13 -2.49 -0.07 0.00 2.95 0.00 0.00 42.46 42.72 1ixx s ILE 66 CO 0.20 0.46 1.41 0.26 -1.79 0.00 0.00 174.94 175.48 1ixx s TRP 67 N 1.04 2.37 0.40 1.37 0.23 -0.43 -0.72 118.94 123.20 1ixx s TRP 67 Ca 0.00 1.29 0.06 0.00 -2.03 0.00 0.00 56.10 55.43 1ixx s TRP 67 Cb -0.15 -3.90 -0.07 0.00 0.03 0.00 0.00 33.47 29.39 1ixx s TRP 67 CO -0.00 -2.99 0.02 0.96 0.96 0.00 0.00 176.95 175.90 1ixx s ILE 68 N -1.23 1.76 -1.92 2.03 -4.36 -0.83 -3.80 121.20 112.85 1ixx s ILE 68 Ca 0.65 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 59.10 1ixx s ILE 68 Cb -0.43 -2.90 0.17 0.00 1.25 0.00 0.00 42.46 40.56 1ixx s ILE 68 CO 0.54 0.00 1.12 0.61 0.24 0.00 0.00 174.94 177.45 1ixx n GLY 69 N -0.93 0.04 3.67 6.27 0.00 0.13 -4.70 105.19 109.66 1ixx n GLY 69 Ca -0.05 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.98 4.14 0.27 0.99 0.20 -1.26 -4.98 118.68 117.06 1ixx s LEU 70 Ca 0.13 0.34 -0.16 0.00 0.69 0.00 0.00 54.13 55.13 1ixx s LEU 70 Cb 0.07 -2.33 0.01 0.00 -0.43 0.00 0.00 46.19 43.51 1ixx s LEU 70 CO 0.09 -0.00 0.60 0.00 -0.29 0.00 0.00 176.35 176.74 1ixx s ARG 71 N 1.14 1.70 -0.07 1.98 1.70 -1.26 -2.70 118.95 121.43 1ixx s ARG 71 Ca 0.14 -1.16 -0.23 0.00 -0.47 0.00 0.00 55.73 54.01 1ixx s ARG 71 Cb -0.14 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1ixx s ARG 71 CO 0.06 -0.75 0.66 0.08 -1.08 0.00 0.00 175.30 174.28 1ixx s VAL 72 N -3.86 5.06 -0.43 4.99 1.01 -0.32 -5.00 120.40 121.86 1ixx s VAL 72 Ca 0.17 1.36 -0.28 0.00 0.00 0.00 0.00 61.98 63.24 1ixx s VAL 72 Cb -0.03 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1ixx s VAL 72 CO 0.09 0.27 1.74 -1.10 0.00 0.00 0.00 175.10 176.09 1ixx s GLN 73 N 0.72 3.19 0.96 2.72 -1.52 -1.26 -4.89 119.66 119.58 1ixx s GLN 73 Ca 0.36 1.10 0.00 0.00 -1.95 0.00 0.00 55.36 54.86 1ixx s GLN 73 Cb -0.17 -4.22 0.00 0.00 -0.22 0.00 0.00 33.01 28.40 1ixx s GLN 73 CO 0.17 -2.04 0.00 0.41 -0.25 0.00 0.00 175.29 173.58 1ixx n GLY 74 N 5.43 -1.54 3.56 3.09 0.00 -1.26 -4.79 105.19 109.68 1ixx n GLY 74 Ca 0.21 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 1ixx n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ixx s LYS 75 N 0.00 3.50 -0.16 1.61 2.20 -1.26 -4.94 119.74 120.69 1ixx s LYS 75 Ca 0.00 -1.17 -0.02 0.00 -0.36 0.00 0.00 55.97 54.41 1ixx s LYS 75 Cb 0.00 -5.35 0.05 0.00 -1.51 0.00 0.00 37.83 31.02 1ixx s LYS 75 CO 0.00 -2.41 0.02 0.08 -0.36 0.00 0.00 175.35 172.68 1ixx s VAL 76 N 5.63 0.50 -0.11 4.02 1.01 -1.26 -4.99 120.40 125.20 1ixx s VAL 76 Ca 0.51 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1ixx s VAL 76 Cb -0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1ixx s VAL 76 CO -0.05 -0.08 0.29 0.11 0.00 0.00 0.00 175.10 175.37 1ixx h LYS 77 N 8.26 -0.02 -3.14 2.72 1.79 -1.99 -3.48 116.57 120.71 1ixx h LYS 77 Ca -0.17 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.16 1ixx h LYS 77 Cb 1.12 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.55 1ixx h LYS 77 CO 0.32 0.32 -0.37 1.14 -1.08 0.00 0.00 179.45 179.78 1ixx s GLN 78 N -1.88 0.47 0.00 3.15 0.00 -1.26 -4.90 119.66 115.25 1ixx s GLN 78 Ca -0.07 0.03 0.18 0.00 -0.00 0.00 0.00 55.36 55.51 1ixx s GLN 78 Cb -0.01 0.21 0.21 0.00 0.00 0.00 0.00 33.01 33.42 1ixx s GLN 78 CO 0.24 -0.10 1.14 0.00 0.00 0.00 0.00 175.29 176.57 1ixx s ASN 80 N -1.46 6.99 0.30 0.00 3.84 -1.26 -4.93 114.94 118.41 1ixx s ASN 80 Ca 0.24 1.18 -0.02 0.00 0.21 0.00 0.00 52.86 54.48 1ixx s ASN 80 Cb 0.16 -2.52 0.44 0.00 -0.55 0.00 0.00 41.25 38.78 1ixx s ASN 80 CO 0.24 -0.73 1.97 0.77 -2.79 0.00 0.00 177.10 176.55 1ixx h SER 81 N 7.75 0.96 -5.47 -4.21 4.64 -1.98 -3.46 113.55 111.77 1ixx h SER 81 Ca -0.20 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.91 1ixx h SER 81 Cb 1.06 -0.24 -0.14 0.00 -0.31 0.00 0.00 62.40 62.78 1ixx h SER 81 CO 0.98 0.69 -0.50 -1.83 -0.87 0.00 0.00 176.83 175.30 1ixx s GLU 82 N -5.94 1.23 0.76 4.77 -1.05 -1.26 -2.30 118.70 114.92 1ixx s GLU 82 Ca -0.12 -1.49 -0.12 0.00 -0.15 0.00 0.00 54.97 53.10 1ixx s GLU 82 Cb 0.18 0.31 0.05 0.00 -0.44 0.00 0.00 34.13 34.23 1ixx s GLU 82 CO 0.79 -0.42 1.11 -1.58 0.95 0.00 0.00 175.26 176.11 1ixx s TRP 83 N -4.10 3.06 -0.19 4.83 0.52 0.20 -4.89 118.94 118.37 1ixx s TRP 83 Ca 0.32 1.02 0.21 0.00 0.02 0.00 0.00 56.10 57.67 1ixx s TRP 83 Cb 0.05 -3.18 1.15 0.00 -1.15 0.00 0.00 33.47 30.34 1ixx s TRP 83 CO 0.09 -1.53 1.64 -1.13 0.02 0.00 0.00 176.95 176.04 1ixx n SER 84 N -3.23 0.55 -0.71 2.95 3.41 -1.26 -1.19 113.62 114.14 1ixx n SER 84 Ca 0.07 0.75 0.12 0.00 -0.26 0.00 0.00 58.87 59.55 1ixx n SER 84 Cb 0.58 -0.82 0.35 0.00 -0.26 0.00 0.00 64.21 64.05 1ixx n SER 84 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ixx n ASP 85 N -2.24 2.16 0.00 4.04 5.68 -1.26 -4.95 116.55 119.98 1ixx n ASP 85 Ca -0.01 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1ixx n ASP 85 Cb 0.05 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 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 1.25 2.23 3.76 6.12 0.00 -0.33 -5.06 105.19 113.15 1ixx n GLY 86 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.54 7.43 0.40 1.61 1.04 -1.26 -4.78 113.70 116.61 1ixx s SER 87 Ca 0.00 1.98 -0.24 0.00 0.48 0.00 0.00 55.95 58.17 1ixx s SER 87 Cb 0.00 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 1ixx s SER 87 CO 0.00 -0.01 1.07 -0.44 0.98 0.00 0.00 173.24 174.84 1ixx s SER 88 N -1.28 6.69 -0.26 7.02 0.01 -1.26 -0.62 113.70 123.99 1ixx s SER 88 Ca 0.45 2.09 -0.29 0.00 1.31 0.00 0.00 55.95 59.51 1ixx s SER 88 Cb -0.25 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.41 1ixx s SER 88 CO 0.31 -0.54 1.05 -0.69 0.41 0.00 0.00 173.24 173.78 1ixx s VAL 89 N -1.62 4.62 0.03 3.43 1.01 -0.97 -4.84 120.40 122.06 1ixx s VAL 89 Ca 0.58 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 64.47 1ixx s VAL 89 Cb -0.23 -4.35 -0.00 0.00 0.00 0.00 0.00 36.38 31.79 1ixx s VAL 89 CO 0.29 -0.29 -0.02 -1.54 0.00 0.00 0.00 175.10 173.54 1ixx n SER 90 N 6.52 0.64 -4.70 3.32 3.41 -1.26 -5.00 113.62 116.56 1ixx n SER 90 Ca 0.12 0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.39 1ixx n SER 90 Cb 0.46 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.58 3.17 0.03 7.33 5.04 -1.26 -5.02 117.35 125.06 1ixx s TYR 91 Ca -0.02 1.11 0.02 0.00 -2.44 0.00 0.00 57.07 55.74 1ixx s TYR 91 Cb 0.00 -3.51 -0.02 0.00 0.35 0.00 0.00 41.96 38.79 1ixx s TYR 91 CO 0.03 -1.69 -0.07 -1.83 -1.34 0.00 0.00 175.55 170.65 1ixx s GLU 92 N 1.85 0.49 -0.33 4.97 4.04 -1.26 -5.07 118.70 123.38 1ixx s GLU 92 Ca 0.59 -0.61 0.17 0.00 0.04 0.00 0.00 54.97 55.16 1ixx s GLU 92 Cb -0.29 -0.29 0.44 0.00 0.02 0.00 0.00 34.13 34.01 1ixx s GLU 92 CO 0.26 0.06 0.93 -1.71 -1.84 0.00 0.00 175.26 172.95 1ixx n ASN 93 N 1.82 1.49 -4.66 0.83 5.15 -1.26 -5.12 115.26 113.51 1ixx n ASN 93 Ca -0.21 -2.79 -0.30 0.00 -0.60 0.00 0.00 54.58 50.69 1ixx n ASN 93 Cb 0.55 -0.54 0.17 0.00 -0.53 0.00 0.00 39.78 39.44 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 -3.04 1.97 -0.22 1.20 0.52 -1.26 -5.03 118.94 113.08 1ixx s TRP 94 Ca 0.30 1.32 -0.06 0.00 0.02 0.00 0.00 56.10 57.67 1ixx s TRP 94 Cb 0.44 -3.18 -0.03 0.00 -1.15 0.00 0.00 33.47 29.56 1ixx s TRP 94 CO 0.01 -2.82 0.03 0.42 0.02 0.00 0.00 176.95 174.61 1ixx s ILE 95 N -2.78 4.14 0.28 2.03 1.01 -1.26 -5.01 121.20 119.62 1ixx s ILE 95 Ca 0.65 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 1ixx s ILE 95 Cb -0.20 -2.90 0.42 0.00 0.01 0.00 0.00 42.46 39.78 1ixx s ILE 95 CO 0.59 0.40 1.57 -0.33 0.00 0.00 0.00 174.94 177.17 1ixx h GLU 96 N 7.72 0.01 0.00 2.79 4.39 -1.99 0.36 114.58 127.86 1ixx h GLU 96 Ca -0.37 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1ixx h GLU 96 Cb 1.18 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1ixx h GLU 96 CO 0.61 0.01 0.00 0.00 -1.16 0.00 0.00 179.01 178.46 1ixx n ALA 97 N -3.38 1.42 1.24 3.43 0.00 -1.26 -2.49 120.51 119.47 1ixx n ALA 97 Ca 0.18 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.86 1ixx n ALA 97 Cb 0.57 -1.33 0.53 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.15 0.44 -2.88 0.00 -0.58 0.12 -4.52 120.64 111.08 1ixx n GLU 98 Ca 0.01 -0.16 -0.43 0.00 -0.42 0.00 0.00 57.16 56.15 1ixx n GLU 98 Cb 0.15 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 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 -2.67 6.57 -1.22 1.62 0.01 -1.04 -4.93 113.70 112.05 1ixx s SER 99 Ca 0.22 -1.87 -0.10 0.00 1.31 0.00 0.00 55.95 55.51 1ixx s SER 99 Cb 0.19 -2.42 0.20 0.00 0.21 0.00 0.00 66.02 64.20 1ixx s SER 99 CO 0.53 -1.15 1.60 0.29 0.41 0.00 0.00 173.24 174.92 1ixx n LYS 100 N 6.92 3.64 -0.10 12.44 5.02 -1.26 -4.44 118.16 140.38 1ixx n LYS 100 Ca 0.22 -3.86 0.12 0.00 -2.02 0.00 0.00 58.31 52.77 1ixx n LYS 100 Cb 0.49 -2.88 0.26 0.00 -0.02 0.00 0.00 35.03 32.88 1ixx n LYS 100 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ixx n THR 101 N 3.45 0.26 -4.26 -0.18 -2.24 -1.24 -4.17 114.28 105.89 1ixx n THR 101 Ca 0.35 -0.54 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 1ixx n THR 101 Cb 0.38 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.46 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 -3.71 2.09 0.14 0.00 1.43 -1.10 -1.52 118.68 116.01 1ixx s LEU 103 Ca 0.33 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1ixx s LEU 103 Cb -0.05 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 1ixx s LEU 103 CO 0.20 0.19 0.14 -0.83 0.23 0.00 0.00 176.35 176.28 1ixx s GLY 104 N -0.73 0.81 0.12 -3.19 0.00 -0.54 -1.96 107.32 101.83 1ixx s GLY 104 Ca 0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1ixx s GLY 104 CO 0.00 -1.17 0.30 1.08 0.00 0.00 0.00 173.10 173.31 1ixx s LEU 105 N -3.02 4.30 0.03 0.66 1.43 0.10 -0.71 118.68 121.47 1ixx s LEU 105 Ca 0.22 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1ixx s LEU 105 Cb 0.06 -3.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 1ixx s LEU 105 CO 0.01 0.08 0.03 -1.83 0.23 0.00 0.00 176.35 174.87 1ixx s GLU 106 N -2.77 0.45 0.27 1.70 -1.05 -1.26 -1.61 118.70 114.43 1ixx s GLU 106 Ca 0.37 -0.71 -0.02 0.00 -0.15 0.00 0.00 54.97 54.47 1ixx s GLU 106 Cb -0.12 0.17 0.43 0.00 -0.44 0.00 0.00 34.13 34.17 1ixx s GLU 106 CO 0.27 -0.09 1.87 -0.22 0.95 0.00 0.00 175.26 178.04 1ixx h LYS 107 N 4.11 1.09 -0.95 -4.83 1.63 -1.81 -1.02 116.57 114.79 1ixx h LYS 107 Ca -0.32 -0.07 0.21 0.00 -0.85 0.00 0.00 60.65 59.62 1ixx h LYS 107 Cb 1.19 -0.25 -0.08 0.00 -0.60 0.00 0.00 32.23 32.49 1ixx h LYS 107 CO 0.47 0.72 0.62 1.49 -3.45 0.00 0.00 179.45 179.30 1ixx h GLU 108 N 1.13 0.46 -0.52 1.90 4.81 -1.97 0.30 114.58 120.70 1ixx h GLU 108 Ca 0.44 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.45 1ixx h GLU 108 Cb 0.24 -0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.40 1ixx h GLU 108 CO -0.19 0.31 0.13 0.25 -0.73 0.00 0.00 179.01 178.78 1ixx n THR 109 N -4.57 2.68 -4.16 0.32 -2.24 -0.99 -4.95 114.28 100.37 1ixx n THR 109 Ca 0.21 -2.15 -0.35 0.00 -2.27 0.00 0.00 64.05 59.49 1ixx n THR 109 Cb 0.71 -0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.75 -3.67 -3.63 3.42 8.00 0.11 -1.67 116.55 118.35 1ixx n ASP 110 Ca 0.36 -0.96 -0.27 0.00 0.71 0.00 0.00 54.79 54.63 1ixx n ASP 110 Cb 1.18 -3.02 0.01 0.00 -0.02 0.00 0.00 41.12 39.28 1ixx n ASP 110 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ixx n PHE 111 N -4.46 -2.04 -0.13 1.24 3.72 -0.42 -4.84 117.46 110.53 1ixx n PHE 111 Ca 0.07 0.69 0.00 0.00 -0.05 0.00 0.00 57.45 58.16 1ixx n PHE 111 Cb 0.50 -3.59 0.00 0.00 -0.94 0.00 0.00 39.48 35.45 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 -4.24 2.14 -4.57 -1.08 1.74 -0.67 -4.27 116.66 105.71 1ixx n ARG 112 Ca 0.01 -0.19 -0.27 0.00 -0.77 0.00 0.00 57.85 56.63 1ixx n ARG 112 Cb 0.54 -0.63 -0.14 0.00 -1.02 0.00 0.00 32.46 31.21 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 -0.36 1.41 -0.34 5.56 -0.14 -1.25 -5.05 119.74 119.57 1ixx s LYS 113 Ca 0.00 -1.09 -0.19 0.00 -1.36 0.00 0.00 55.97 53.33 1ixx s LYS 113 Cb 0.00 -1.63 -0.01 0.00 -1.68 0.00 0.00 37.83 34.51 1ixx s LYS 113 CO 0.00 0.41 0.55 -1.58 -0.76 0.00 0.00 175.35 173.96 1ixx s TRP 114 N -0.93 3.19 -0.11 3.18 0.51 -1.26 -4.40 118.94 119.12 1ixx s TRP 114 Ca 0.09 0.31 -0.04 0.00 -2.12 0.00 0.00 56.10 54.34 1ixx s TRP 114 Cb -0.09 -2.95 -0.04 0.00 -0.81 0.00 0.00 33.47 29.58 1ixx s TRP 114 CO 0.03 -0.52 0.05 0.14 -0.51 0.00 0.00 176.95 176.14 1ixx s VAL 115 N 2.47 4.72 -0.16 4.03 -7.23 0.12 -4.89 120.40 119.46 1ixx s VAL 115 Ca 0.21 -0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 60.00 1ixx s VAL 115 Cb -0.15 -3.03 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 1ixx s VAL 115 CO 0.13 0.58 1.22 0.20 -0.31 0.00 0.00 175.10 176.92 1ixx s ASN 116 N -0.70 6.99 0.05 4.85 -0.87 -1.26 -1.46 114.94 122.53 1ixx s ASN 116 Ca 0.12 1.66 0.00 0.00 -1.57 0.00 0.00 52.86 53.06 1ixx s ASN 116 Cb -0.12 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.54 1ixx s ASN 116 CO 0.02 -0.72 -0.04 0.27 -2.57 0.00 0.00 177.10 174.07 1ixx s ILE 117 N 3.26 0.28 0.15 0.60 -0.00 -0.58 -4.91 121.20 120.00 1ixx s ILE 117 Ca 0.53 -1.45 -0.31 0.00 -0.00 0.00 0.00 60.65 59.41 1ixx s ILE 117 Cb -0.21 -1.03 -0.11 0.00 -0.00 0.00 0.00 42.46 41.11 1ixx s ILE 117 CO 0.14 -0.75 1.78 -0.47 -0.00 0.00 0.00 174.94 175.64 1ixx s TYR 118 N -2.80 2.43 0.47 1.37 5.04 -1.26 -2.66 117.35 119.93 1ixx s TYR 118 Ca -0.02 0.13 0.37 0.00 -2.44 0.00 0.00 57.07 55.11 1ixx s TYR 118 Cb -0.00 -4.15 1.99 0.00 0.35 0.00 0.00 41.96 40.15 1ixx s TYR 118 CO -0.05 -4.60 2.12 0.00 -1.34 0.00 0.00 175.55 171.68 1ixx n GLY 120 N -1.15 -0.06 3.78 0.00 0.00 -1.26 -2.30 105.19 104.19 1ixx n GLY 120 Ca -0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.84 2.62 -0.28 1.61 -0.21 -0.48 -4.84 119.66 116.24 1ixx s GLN 121 Ca 0.31 1.19 -0.03 0.00 0.02 0.00 0.00 55.36 56.85 1ixx s GLN 121 Cb 0.16 -1.94 0.03 0.00 1.00 0.00 0.00 33.01 32.26 1ixx s GLN 121 CO 0.24 -1.36 -0.00 -0.65 -2.12 0.00 0.00 175.29 171.40 1ixx s GLN 122 N -4.63 2.68 0.16 2.91 -0.21 -1.26 -3.49 119.66 115.82 1ixx s GLN 122 Ca 0.62 -1.10 -0.02 0.00 0.02 0.00 0.00 55.36 54.88 1ixx s GLN 122 Cb -0.17 -3.16 -0.04 0.00 1.00 0.00 0.00 33.01 30.64 1ixx s GLN 122 CO 0.50 -0.52 0.12 -0.80 -2.12 0.00 0.00 175.29 172.47 1ixx s ASN 123 N 1.32 0.22 1.13 5.90 0.01 -0.26 -4.69 114.94 118.57 1ixx s ASN 123 Ca -0.02 -1.22 -0.17 0.00 -0.71 0.00 0.00 52.86 50.74 1ixx s ASN 123 Cb -0.18 0.35 0.25 0.00 0.41 0.00 0.00 41.25 42.08 1ixx s ASN 123 CO -0.01 -0.80 1.13 -2.84 -1.51 0.00 0.00 177.10 173.07 1ixx s PRO 124 N -4.07 -0.64 0.23 -0.60 0.02 -1.21 -2.28 135.00 126.46 1ixx s PRO 124 Ca 0.28 0.00 -0.19 0.00 0.02 0.00 0.00 61.00 61.11 1ixx s PRO 124 Cb 0.07 -1.66 0.03 0.00 0.02 0.00 0.00 34.50 32.95 1ixx s PRO 124 CO 0.05 -3.34 0.60 -0.59 -0.33 0.00 0.00 177.00 173.40 1ixx s PHE 125 N -3.11 -0.14 -0.12 6.54 -0.71 -0.85 -1.31 117.98 118.28 1ixx s PHE 125 Ca 0.70 -0.24 0.00 0.00 -1.04 0.00 0.00 56.93 56.36 1ixx s PHE 125 Cb -0.11 0.51 0.02 0.00 -1.21 0.00 0.00 43.02 42.23 1ixx s PHE 125 CO 0.56 -1.04 -0.11 0.08 -1.34 0.00 0.00 175.22 173.36 1ixx s VAL 126 N -3.89 1.30 0.29 -2.49 1.01 -1.25 -0.04 120.40 115.33 1ixx s VAL 126 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1ixx s VAL 126 Cb -0.03 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1ixx s VAL 126 CO 0.01 0.41 0.49 0.00 0.00 0.00 0.00 175.10 176.01 1ixx s GLU 128 N -3.96 0.23 0.00 0.00 2.12 -0.02 -1.90 118.70 115.17 1ixx s GLU 128 Ca 0.39 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.66 1ixx s GLU 128 Cb -0.10 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.03 1ixx s GLU 128 CO 0.33 0.02 0.28 0.00 -0.54 0.00 0.00 175.26 175.35