#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 -3.09 2.92 0.13 0.00 1.02 -1.26 -4.91 118.68 113.48 1ixx s LEU 3 Ca 0.27 1.64 -0.33 0.00 0.02 0.00 0.00 54.13 55.73 1ixx s LEU 3 Cb -0.08 -4.36 -0.12 0.00 0.02 0.00 0.00 46.19 41.65 1ixx s LEU 3 CO 0.16 -1.89 1.74 -1.20 0.02 0.00 0.00 176.35 175.18 1ixx n SER 4 N -3.41 3.68 0.00 2.29 7.64 -1.26 -1.78 113.62 120.78 1ixx n SER 4 Ca 0.08 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1ixx n SER 4 Cb 0.54 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 3.95 0.71 3.40 0.23 0.00 -1.26 -5.06 105.19 107.16 1ixx n GLY 5 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.52 2.77 -0.05 1.61 0.52 -0.73 -4.76 118.94 115.79 1ixx s TRP 6 Ca 0.00 -0.50 -0.16 0.00 0.02 0.00 0.00 56.10 55.46 1ixx s TRP 6 Cb 0.00 -1.78 -0.05 0.00 -1.15 0.00 0.00 33.47 30.49 1ixx s TRP 6 CO 0.00 -0.09 0.42 -1.12 0.02 0.00 0.00 176.95 176.17 1ixx s SER 7 N 0.02 6.73 0.17 2.95 0.01 0.10 -4.68 113.70 119.01 1ixx s SER 7 Ca -0.04 0.87 -0.10 0.00 1.31 0.00 0.00 55.95 57.98 1ixx s SER 7 Cb -0.14 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 1ixx s SER 7 CO 0.04 0.20 0.50 -0.55 0.41 0.00 0.00 173.24 173.85 1ixx s SER 8 N -0.40 6.67 -0.29 2.44 0.15 -1.26 0.08 113.70 121.09 1ixx s SER 8 Ca 0.24 0.90 -0.06 0.00 0.70 0.00 0.00 55.95 57.73 1ixx s SER 8 Cb -0.16 -2.22 0.15 0.00 -1.71 0.00 0.00 66.02 62.08 1ixx s SER 8 CO 0.11 0.03 0.60 -0.47 1.20 0.00 0.00 173.24 174.71 1ixx s TYR 9 N -1.63 -1.36 -1.26 3.44 5.04 -0.19 -4.97 117.35 116.41 1ixx s TYR 9 Ca 0.42 1.98 -0.30 0.00 -2.44 0.00 0.00 57.07 56.72 1ixx s TYR 9 Cb -0.13 0.64 0.04 0.00 0.35 0.00 0.00 41.96 42.87 1ixx s TYR 9 CO 0.20 -0.72 0.59 0.39 -1.34 0.00 0.00 175.55 174.67 1ixx n GLU 10 N 5.43 -0.33 -1.00 4.97 1.02 -1.26 -1.47 120.64 128.00 1ixx n GLU 10 Ca -0.08 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ixx n GLU 10 Cb 0.50 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 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 -2.17 0.49 3.31 0.62 0.00 -1.26 -5.03 105.19 101.15 1ixx n GLY 11 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.03 1.48 -0.03 1.61 3.76 -0.55 -5.07 115.29 114.46 1ixx s HIS 12 Ca 0.00 -0.83 0.06 0.00 -0.15 0.00 0.00 55.06 54.14 1ixx s HIS 12 Cb 0.00 -0.81 -0.02 0.00 1.11 0.00 0.00 32.58 32.86 1ixx s HIS 12 CO 0.00 0.04 -0.22 0.00 -0.85 0.00 0.00 174.74 173.71 1ixx s TYR 14 N -0.63 1.02 -0.16 0.00 1.51 0.11 -0.78 117.35 118.43 1ixx s TYR 14 Ca 0.10 -0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 1ixx s TYR 14 Cb -0.10 -0.58 0.06 0.00 -0.11 0.00 0.00 41.96 41.22 1ixx s TYR 14 CO -0.00 0.01 0.39 0.21 -1.11 0.00 0.00 175.55 175.05 1ixx s LYS 15 N -1.74 0.38 0.00 -0.62 2.20 -0.79 0.01 119.74 119.18 1ixx s LYS 15 Ca -0.04 0.75 -0.17 0.00 -0.36 0.00 0.00 55.97 56.14 1ixx s LYS 15 Cb -0.10 -0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.15 1ixx s LYS 15 CO 0.02 -0.15 0.49 0.00 -0.36 0.00 0.00 175.35 175.35 1ixx s ALA 16 N 1.30 3.60 -0.12 3.13 0.00 -1.26 -0.50 121.76 127.91 1ixx s ALA 16 Ca -0.09 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1ixx s ALA 16 Cb -0.08 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 1ixx s ALA 16 CO -0.11 0.34 -0.19 -0.06 0.00 0.00 0.00 175.76 175.73 1ixx s PHE 17 N -0.69 2.68 -0.47 0.00 0.40 0.10 -4.99 117.98 115.02 1ixx s PHE 17 Ca 0.27 -0.90 -0.01 0.00 -0.60 0.00 0.00 56.93 55.69 1ixx s PHE 17 Cb -0.17 -1.78 0.35 0.00 0.51 0.00 0.00 43.02 41.93 1ixx s PHE 17 CO 0.15 -0.35 1.99 0.39 0.70 0.00 0.00 175.22 178.10 1ixx n GLU 18 N 3.58 2.20 -3.83 0.44 1.02 -1.26 -1.85 120.64 120.93 1ixx n GLU 18 Ca -0.19 -2.38 -0.34 0.00 -0.02 0.00 0.00 57.16 54.23 1ixx n GLU 18 Cb 0.53 -1.93 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.76 3.51 -0.71 3.49 1.02 -1.26 -4.93 119.74 118.11 1ixx s LYS 19 Ca 0.47 -0.17 -0.16 0.00 0.02 0.00 0.00 55.97 56.12 1ixx s LYS 19 Cb 0.37 -3.10 0.15 0.00 -0.52 0.00 0.00 37.83 34.74 1ixx s LYS 19 CO 0.00 0.67 0.73 0.71 -0.92 0.00 0.00 175.35 176.55 1ixx s TYR 20 N -1.28 3.35 0.22 3.18 1.51 -1.26 -2.78 117.35 120.29 1ixx s TYR 20 Ca 0.26 -1.47 0.10 0.00 -1.01 0.00 0.00 57.07 54.95 1ixx s TYR 20 Cb -0.13 -3.93 -0.05 0.00 -0.11 0.00 0.00 41.96 37.75 1ixx s TYR 20 CO 0.16 -1.14 -0.19 0.15 -1.11 0.00 0.00 175.55 173.42 1ixx s LYS 21 N 1.52 1.47 1.06 -0.62 -0.14 -0.78 -4.65 119.74 117.59 1ixx s LYS 21 Ca 0.14 -1.60 -0.17 0.00 -1.36 0.00 0.00 55.97 52.98 1ixx s LYS 21 Cb -0.18 -1.50 0.23 0.00 -1.68 0.00 0.00 37.83 34.70 1ixx s LYS 21 CO -0.02 0.29 1.23 0.95 -0.76 0.00 0.00 175.35 177.04 1ixx s THR 22 N -2.41 1.83 0.06 2.17 -4.23 -1.23 -0.38 115.64 111.46 1ixx s THR 22 Ca 0.23 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 1ixx s THR 22 Cb -0.04 -2.78 -0.17 0.00 1.34 0.00 0.00 72.50 70.84 1ixx s THR 22 CO 0.10 0.00 1.60 -0.25 -0.54 0.00 0.00 174.62 175.53 1ixx h TRP 23 N -2.02 -0.28 -0.96 3.99 7.01 -1.57 0.30 115.95 122.42 1ixx h TRP 23 Ca -0.45 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 60.56 1ixx h TRP 23 Cb 1.26 0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 28.36 1ixx h TRP 23 CO -1.52 -0.11 0.64 1.05 -2.79 0.00 0.00 178.44 175.72 1ixx h GLU 24 N -0.39 1.25 -0.19 2.65 4.11 -1.94 0.66 114.58 120.73 1ixx h GLU 24 Ca -0.03 -0.08 -0.14 0.00 0.07 0.00 0.00 59.36 59.18 1ixx h GLU 24 Cb 0.30 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ixx h GLU 24 CO 0.05 0.83 -0.49 -0.44 0.07 0.00 0.00 179.01 179.03 1ixx h ASP 25 N 1.29 0.54 -0.17 3.06 5.19 -1.87 -1.59 116.42 122.87 1ixx h ASP 25 Ca 0.36 -0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1ixx h ASP 25 Cb -0.12 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 1ixx h ASP 25 CO -0.09 0.94 -0.00 0.00 -3.12 0.00 0.00 179.24 176.97 1ixx h ALA 26 N 1.08 0.23 -0.96 3.45 0.00 0.35 -1.88 119.26 121.52 1ixx h ALA 26 Ca 0.02 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ixx h ALA 26 Cb 1.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1ixx h ALA 26 CO 0.09 -0.06 0.62 1.49 0.00 0.00 0.00 179.25 181.39 1ixx h GLU 27 N 0.04 1.11 -0.61 0.00 4.57 -0.82 -1.58 114.58 117.30 1ixx h GLU 27 Ca 0.05 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1ixx h GLU 27 Cb 0.38 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1ixx h GLU 27 CO 0.01 0.74 0.33 -0.09 -1.18 0.00 0.00 179.01 178.81 1ixx h ARG 28 N 1.14 0.86 -0.30 1.92 2.43 -0.95 -0.83 114.38 118.65 1ixx h ARG 28 Ca 0.40 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1ixx h ARG 28 Cb 0.11 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1ixx h ARG 28 CO -0.14 0.66 -0.05 0.28 -1.51 0.00 0.00 179.97 179.20 1ixx h VAL 29 N 0.83 1.20 -0.05 0.20 2.07 -0.49 -1.52 116.25 118.50 1ixx h VAL 29 Ca 0.21 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1ixx h VAL 29 Cb 0.06 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1ixx h VAL 29 CO -0.03 0.28 -0.03 0.00 0.02 0.00 0.00 177.57 177.81 1ixx h THR 31 N -0.30 0.80 0.00 0.00 2.02 -0.87 0.99 112.91 115.54 1ixx h THR 31 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1ixx h THR 31 Cb 0.49 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1ixx h THR 31 CO 0.01 0.00 -0.03 -0.62 0.37 0.00 0.00 175.52 175.25 1ixx n GLU 32 N -4.33 0.11 0.10 6.66 1.02 -0.60 -3.61 120.64 120.00 1ixx n GLU 32 Ca 0.02 0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 57.06 1ixx n GLU 32 Cb 0.31 -1.63 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 1ixx n GLU 32 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ixx h GLN 33 N 0.00 0.47 -1.78 3.49 1.08 -0.68 -3.48 115.11 114.21 1ixx h GLN 33 Ca 0.00 -0.67 0.07 0.00 -1.45 0.00 0.00 58.65 56.60 1ixx h GLN 33 Cb 0.60 0.23 -0.21 0.00 -0.05 0.00 0.00 27.48 28.06 1ixx h GLN 33 CO 0.00 1.29 0.49 0.00 -0.95 0.00 0.00 178.83 179.66 1ixx s ALA 34 N -2.88 -1.89 -0.52 3.87 0.00 -1.22 -5.01 121.76 114.11 1ixx s ALA 34 Ca -0.07 1.42 -0.27 0.00 0.00 0.00 0.00 51.96 53.04 1ixx s ALA 34 Cb 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1ixx s ALA 34 CO 0.91 -0.40 1.81 0.15 0.00 0.00 0.00 175.76 178.23 1ixx s LYS 35 N -1.57 2.89 0.00 0.00 3.01 -1.26 -1.23 119.74 121.58 1ixx s LYS 35 Ca -0.02 0.87 0.00 0.00 -1.01 0.00 0.00 55.97 55.81 1ixx s LYS 35 Cb -0.01 -4.31 0.00 0.00 -1.01 0.00 0.00 37.83 32.51 1ixx s LYS 35 CO 0.00 -2.40 0.00 0.41 0.51 0.00 0.00 175.35 173.87 1ixx n GLY 36 N 5.58 1.92 3.77 -3.33 0.00 -1.26 -5.11 105.19 106.77 1ixx n GLY 36 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 3.22 0.07 4.61 0.00 -0.37 -4.81 121.76 122.63 1ixx s ALA 37 Ca 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 1ixx s ALA 37 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1ixx s ALA 37 CO 0.00 0.02 0.11 0.72 0.00 0.00 0.00 175.76 176.62 1ixx n HIS 38 N 0.59 -0.80 -1.51 0.00 8.25 -0.84 -3.56 115.22 117.34 1ixx n HIS 38 Ca 0.02 -0.43 -0.32 0.00 -0.26 0.00 0.00 57.72 56.73 1ixx n HIS 38 Cb 0.49 0.13 0.07 0.00 1.12 0.00 0.00 29.99 31.79 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 3.18 0.32 2.41 1.43 -1.26 -1.35 118.68 123.40 1ixx s LEU 39 Ca 0.05 1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 54.68 1ixx s LEU 39 Cb -0.00 -4.52 -0.11 0.00 0.03 0.00 0.00 46.19 41.58 1ixx s LEU 39 CO 0.04 -1.75 1.55 0.54 0.23 0.00 0.00 176.35 176.96 1ixx s VAL 40 N -2.75 2.10 -0.30 -1.59 0.11 -0.79 -4.30 120.40 112.88 1ixx s VAL 40 Ca 0.62 0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.71 1ixx s VAL 40 Cb -0.17 -3.06 0.02 0.00 -1.53 0.00 0.00 36.38 31.64 1ixx s VAL 40 CO 0.51 0.02 0.06 -0.94 -3.33 0.00 0.00 175.10 171.41 1ixx s SER 41 N 0.28 5.02 -0.43 3.54 1.04 -1.26 0.09 113.70 121.98 1ixx s SER 41 Ca 0.60 -0.87 -0.23 0.00 0.48 0.00 0.00 55.95 55.92 1ixx s SER 41 Cb -0.47 -1.83 0.02 0.00 0.10 0.00 0.00 66.02 63.84 1ixx s SER 41 CO 0.52 -0.22 0.80 -0.63 0.98 0.00 0.00 173.24 174.70 1ixx s ILE 42 N 1.43 4.65 -0.21 -1.02 -1.09 -1.26 -4.91 121.20 118.79 1ixx s ILE 42 Ca 0.01 0.59 0.02 0.00 -2.23 0.00 0.00 60.65 59.04 1ixx s ILE 42 Cb -0.18 -4.30 0.05 0.00 -1.58 0.00 0.00 42.46 36.45 1ixx s ILE 42 CO 0.01 -0.65 0.91 -0.62 -1.23 0.00 0.00 174.94 173.36 1ixx n GLU 43 N 6.69 1.94 -3.75 2.79 1.02 -1.26 -5.00 120.64 123.06 1ixx n GLU 43 Ca 0.03 -1.33 -0.04 0.00 -0.02 0.00 0.00 57.16 55.80 1ixx n GLU 43 Cb 0.48 -1.05 -0.01 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.77 -0.18 0.04 1.62 1.04 -1.26 -5.03 113.70 109.17 1ixx s SER 44 Ca 0.04 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 1ixx s SER 44 Cb 0.02 0.49 -0.14 0.00 0.10 0.00 0.00 66.02 66.50 1ixx s SER 44 CO 0.03 -0.90 1.39 0.28 0.98 0.00 0.00 173.24 175.02 1ixx h SER 45 N 2.00 0.33 -0.81 7.02 0.02 -1.99 -1.39 113.55 118.73 1ixx h SER 45 Ca -0.24 -0.42 0.05 0.00 -0.84 0.00 0.00 61.79 60.35 1ixx h SER 45 Cb 1.23 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 1ixx h SER 45 CO 0.25 0.67 0.53 1.23 -1.14 0.00 0.00 176.83 178.38 1ixx h GLY 46 N -0.02 1.13 1.11 -3.77 0.00 -1.99 -0.91 103.07 98.62 1ixx h GLY 46 Ca 0.03 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 1ixx h GLY 46 CO 0.02 0.29 -0.50 -2.09 0.00 0.00 0.00 176.54 174.27 1ixx h GLU 47 N 0.93 0.84 -0.45 4.80 4.81 -1.94 -1.68 114.58 121.90 1ixx h GLU 47 Ca 0.34 -0.52 0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1ixx h GLU 47 Cb 0.15 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 1ixx h GLU 47 CO -0.11 1.16 0.03 0.00 -0.73 0.00 0.00 179.01 179.36 1ixx h ALA 48 N 0.68 0.45 0.00 2.92 0.00 -0.27 -1.41 119.26 121.63 1ixx h ALA 48 Ca 0.02 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1ixx h ALA 48 Cb 1.10 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1ixx h ALA 48 CO 0.11 -0.36 -0.56 -0.44 0.00 0.00 0.00 179.25 177.99 1ixx h ASP 49 N 0.15 0.00 0.10 0.00 3.32 -1.14 -1.05 116.42 117.79 1ixx h ASP 49 Ca 0.22 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1ixx h ASP 49 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1ixx h ASP 49 CO -0.34 0.56 -0.05 0.15 -1.72 0.00 0.00 179.24 177.84 1ixx h PHE 50 N 0.00 -0.12 -0.52 4.55 3.57 -0.73 -0.45 116.94 123.24 1ixx h PHE 50 Ca -0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ixx h PHE 50 Cb 1.04 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1ixx h PHE 50 CO 0.00 0.13 0.31 0.28 -2.23 0.00 0.00 178.31 176.80 1ixx h VAL 51 N -0.37 1.07 -0.83 1.41 2.07 -1.19 0.48 116.25 118.89 1ixx h VAL 51 Ca -0.01 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1ixx h VAL 51 Cb 0.31 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1ixx h VAL 51 CO 0.02 0.11 0.50 0.00 0.02 0.00 0.00 177.57 178.23 1ixx h ALA 52 N 1.22 1.15 -0.29 1.67 0.00 -1.08 0.08 119.26 122.00 1ixx h ALA 52 Ca 0.20 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 1ixx h ALA 52 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1ixx h ALA 52 CO -0.08 0.20 -0.51 0.37 0.00 0.00 0.00 179.25 179.23 1ixx h GLN 53 N 0.89 0.83 -0.03 0.00 4.15 -0.09 -2.78 115.11 118.08 1ixx h GLN 53 Ca 0.37 -0.50 0.01 0.00 0.77 0.00 0.00 58.65 59.30 1ixx h GLN 53 Cb 0.23 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1ixx h GLN 53 CO -0.19 1.14 -0.01 1.25 -1.93 0.00 0.00 178.83 179.08 1ixx h LEU 54 N 0.65 -0.04 0.07 -2.39 5.85 0.94 -1.30 115.31 119.09 1ixx h LEU 54 Ca 0.02 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1ixx h LEU 54 Cb 1.10 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1ixx h LEU 54 CO 0.11 -0.01 -0.13 0.58 -0.34 0.00 0.00 178.44 178.65 1ixx h VAL 55 N -0.01 0.69 0.00 1.05 2.07 -1.02 0.47 116.25 119.51 1ixx h VAL 55 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1ixx h VAL 55 Cb 0.03 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ixx h VAL 55 CO -0.03 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.27 1ixx h THR 56 N -0.26 0.00 0.00 2.57 1.35 -1.40 -0.94 112.91 114.24 1ixx h THR 56 Ca 0.02 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1ixx h THR 56 Cb 0.28 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1ixx h THR 56 CO -0.08 0.00 -1.35 0.00 -0.25 0.00 0.00 175.52 173.83 1ixx n GLN 57 N -2.99 0.49 -0.02 4.72 6.02 -0.50 -4.66 117.38 120.44 1ixx n GLN 57 Ca 0.00 -0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 56.94 1ixx n GLN 57 Cb 0.25 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 1ixx n GLN 57 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ixx n ASN 58 N -2.24 3.98 -4.69 1.08 4.13 0.10 -5.01 115.26 112.61 1ixx n ASN 58 Ca -0.01 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.84 1ixx n ASN 58 Cb 0.51 0.69 -0.04 0.00 -1.54 0.00 0.00 39.78 39.39 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 -2.13 4.36 0.34 3.52 -1.94 -0.38 -4.94 119.30 118.13 1ixx s MET 59 Ca -0.02 1.03 0.26 0.00 -1.71 0.00 0.00 55.69 55.25 1ixx s MET 59 Cb 0.01 -3.53 1.10 0.00 2.01 0.00 0.00 34.83 34.42 1ixx s MET 59 CO 0.17 -0.19 1.79 0.87 -0.01 0.00 0.00 175.02 177.64 1ixx h LYS 60 N 7.12 0.00 -3.40 2.03 1.79 -1.95 -3.41 116.57 118.75 1ixx h LYS 60 Ca -0.34 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 57.72 1ixx h LYS 60 Cb 1.16 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.42 1ixx h LYS 60 CO 0.80 0.00 -0.75 1.03 -1.08 0.00 0.00 179.45 179.45 1ixx s ARG 61 N -3.42 0.20 -0.22 3.15 0.52 -1.26 -5.01 118.95 112.92 1ixx s ARG 61 Ca 0.03 0.16 0.13 0.00 -0.52 0.00 0.00 55.73 55.54 1ixx s ARG 61 Cb 0.09 -0.99 0.78 0.00 0.52 0.00 0.00 34.95 35.34 1ixx s ARG 61 CO 0.42 -0.40 1.68 1.28 0.02 0.00 0.00 175.30 178.30 1ixx n LEU 62 N 5.23 5.45 -0.12 2.53 4.32 -1.26 -4.45 117.00 128.71 1ixx n LEU 62 Ca -0.05 -2.77 0.15 0.00 -0.02 0.00 0.00 56.01 53.33 1ixx n LEU 62 Cb 0.50 -0.67 0.83 0.00 -1.62 0.00 0.00 43.42 42.46 1ixx n LEU 62 CO 0.09 0.62 1.04 0.47 -1.22 0.00 0.00 177.39 178.39 1ixx n ASP 63 N 0.63 0.37 -4.47 -1.43 8.00 -1.26 -4.38 116.55 114.00 1ixx n ASP 63 Ca 0.26 -1.08 -0.30 0.00 0.71 0.00 0.00 54.79 54.39 1ixx n ASP 63 Cb 1.13 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 42.15 1ixx n ASP 63 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ixx s PHE 64 N -2.03 1.84 0.09 1.24 0.40 -1.26 -5.05 117.98 113.20 1ixx s PHE 64 Ca 0.44 -1.10 -0.15 0.00 -0.60 0.00 0.00 56.93 55.52 1ixx s PHE 64 Cb 0.22 -1.41 -0.06 0.00 0.51 0.00 0.00 43.02 42.27 1ixx s PHE 64 CO 0.37 -0.00 0.51 0.71 0.70 0.00 0.00 175.22 177.51 1ixx s TYR 65 N -3.02 3.69 -0.20 0.36 2.02 -1.26 -4.59 117.35 114.35 1ixx s TYR 65 Ca 0.14 1.09 -0.06 0.00 -0.37 0.00 0.00 57.07 57.87 1ixx s TYR 65 Cb 0.02 -2.37 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1ixx s TYR 65 CO 0.08 0.53 0.02 0.96 -1.57 0.00 0.00 175.55 175.57 1ixx s ILE 66 N -1.27 4.13 0.36 2.71 -5.25 -0.21 -3.78 121.20 117.88 1ixx s ILE 66 Ca 0.32 -0.25 -0.28 0.00 -0.99 0.00 0.00 60.65 59.45 1ixx s ILE 66 Cb -0.17 -2.87 -0.10 0.00 2.95 0.00 0.00 42.46 42.27 1ixx s ILE 66 CO 0.18 0.42 1.31 0.26 -1.79 0.00 0.00 174.94 175.32 1ixx s TRP 67 N 0.97 2.94 0.24 1.37 0.23 -0.37 -0.79 118.94 123.52 1ixx s TRP 67 Ca 0.02 1.40 0.08 0.00 -2.03 0.00 0.00 56.10 55.57 1ixx s TRP 67 Cb -0.14 -3.69 -0.05 0.00 0.03 0.00 0.00 33.47 29.61 1ixx s TRP 67 CO 0.02 -1.99 -0.12 0.96 0.96 0.00 0.00 176.95 176.78 1ixx s ILE 68 N -1.18 1.77 -2.00 2.03 -4.36 -1.07 -3.55 121.20 112.84 1ixx s ILE 68 Ca 0.52 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.72 1ixx s ILE 68 Cb -0.39 -2.21 0.04 0.00 1.25 0.00 0.00 42.46 41.15 1ixx s ILE 68 CO 0.52 -0.48 0.41 0.61 0.24 0.00 0.00 174.94 176.24 1ixx n GLY 69 N -0.47 -0.31 3.71 6.27 0.00 0.11 -4.65 105.19 109.85 1ixx n GLY 69 Ca -0.07 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.13 4.20 0.26 0.99 0.20 -1.26 -4.98 118.68 116.95 1ixx s LEU 70 Ca 0.02 0.29 -0.21 0.00 0.69 0.00 0.00 54.13 54.92 1ixx s LEU 70 Cb 0.01 -2.18 0.03 0.00 -0.43 0.00 0.00 46.19 43.61 1ixx s LEU 70 CO 0.02 0.13 0.70 0.00 -0.29 0.00 0.00 176.35 176.91 1ixx s ARG 71 N 0.55 1.70 0.09 1.98 1.70 -1.26 -2.34 118.95 121.36 1ixx s ARG 71 Ca 0.11 -0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 54.17 1ixx s ARG 71 Cb -0.12 0.60 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 1ixx s ARG 71 CO 0.01 -0.77 0.96 0.08 -1.08 0.00 0.00 175.30 174.50 1ixx s VAL 72 N -3.88 4.58 -0.24 4.99 1.01 -0.84 -5.03 120.40 120.99 1ixx s VAL 72 Ca 0.09 2.06 -0.20 0.00 0.00 0.00 0.00 61.98 63.93 1ixx s VAL 72 Cb -0.05 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1ixx s VAL 72 CO 0.04 0.29 0.63 -1.10 0.00 0.00 0.00 175.10 174.95 1ixx s GLN 73 N 0.20 4.14 0.00 2.72 -1.52 -1.26 -4.92 119.66 119.02 1ixx s GLN 73 Ca 0.48 0.56 0.00 0.00 -1.95 0.00 0.00 55.36 54.45 1ixx s GLN 73 Cb -0.23 -3.63 0.00 0.00 -0.22 0.00 0.00 33.01 28.94 1ixx s GLN 73 CO 0.29 -0.36 0.00 0.41 -0.25 0.00 0.00 175.29 175.39 1ixx n GLY 74 N 4.05 0.81 2.45 3.09 0.00 -1.26 -4.87 105.19 109.46 1ixx n GLY 74 Ca -0.01 -2.31 -0.27 0.00 0.00 0.00 0.00 46.02 43.44 1ixx n GLY 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ixx n LYS 75 N -0.93 2.39 -5.10 1.61 3.00 -1.26 -5.03 118.16 112.85 1ixx n LYS 75 Ca 0.00 -4.59 -0.30 0.00 -0.00 0.00 0.00 58.31 53.42 1ixx n LYS 75 Cb 0.00 -2.21 -0.16 0.00 0.00 0.00 0.00 35.03 32.65 1ixx n LYS 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1ixx s VAL 76 N -2.34 1.82 -0.06 3.15 -7.23 -1.26 -5.02 120.40 109.46 1ixx s VAL 76 Ca 0.38 -0.93 0.12 0.00 -1.81 0.00 0.00 61.98 59.75 1ixx s VAL 76 Cb 0.13 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 1ixx s VAL 76 CO -0.03 0.51 1.36 0.11 -0.31 0.00 0.00 175.10 176.74 1ixx h LYS 77 N 6.25 0.00 -1.97 4.82 1.79 -2.01 -3.47 116.57 121.99 1ixx h LYS 77 Ca -0.30 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.12 1ixx h LYS 77 Cb 1.18 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.64 1ixx h LYS 77 CO 0.47 0.68 0.22 1.14 -1.08 0.00 0.00 179.45 180.87 1ixx s GLN 78 N -2.86 1.02 0.00 3.15 0.00 -1.26 -4.83 119.66 114.88 1ixx s GLN 78 Ca 0.03 0.26 0.17 0.00 -0.00 0.00 0.00 55.36 55.82 1ixx s GLN 78 Cb 0.08 0.48 0.33 0.00 0.00 0.00 0.00 33.01 33.90 1ixx s GLN 78 CO 0.78 -0.32 1.24 0.00 0.00 0.00 0.00 175.29 176.99 1ixx s ASN 80 N -1.20 6.76 0.00 0.00 3.84 -1.26 -4.93 114.94 118.15 1ixx s ASN 80 Ca 0.29 0.93 0.25 0.00 0.21 0.00 0.00 52.86 54.55 1ixx s ASN 80 Cb 0.17 -2.38 0.57 0.00 -0.55 0.00 0.00 41.25 39.06 1ixx s ASN 80 CO 0.23 -0.34 1.45 -1.54 -2.79 0.00 0.00 177.10 174.12 1ixx n SER 81 N 5.26 0.68 -4.08 -4.21 3.41 -1.26 -4.87 113.62 108.56 1ixx n SER 81 Ca 0.01 -0.48 -0.16 0.00 -0.26 0.00 0.00 58.87 57.98 1ixx n SER 81 Cb 0.49 0.23 -0.12 0.00 -0.26 0.00 0.00 64.21 64.54 1ixx n SER 81 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ixx s GLU 82 N -2.84 0.65 0.73 4.33 2.02 -1.26 -1.06 118.70 121.28 1ixx s GLU 82 Ca 0.15 -0.68 -0.11 0.00 0.02 0.00 0.00 54.97 54.35 1ixx s GLU 82 Cb 0.18 -0.54 0.03 0.00 0.10 0.00 0.00 34.13 33.89 1ixx s GLU 82 CO 0.64 0.12 1.09 -1.58 0.02 0.00 0.00 175.26 175.56 1ixx s TRP 83 N -1.00 3.16 -0.14 1.61 0.52 -0.15 -4.91 118.94 118.02 1ixx s TRP 83 Ca -0.04 1.14 0.24 0.00 0.02 0.00 0.00 56.10 57.45 1ixx s TRP 83 Cb -0.08 -3.04 1.27 0.00 -1.15 0.00 0.00 33.47 30.47 1ixx s TRP 83 CO 0.01 -1.36 1.73 0.66 0.02 0.00 0.00 176.95 178.01 1ixx h SER 84 N -0.79 0.00 0.09 2.95 4.64 -2.01 -1.34 113.55 117.10 1ixx h SER 84 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ixx h SER 84 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ixx h SER 84 CO 0.61 0.00 -0.11 -0.90 -0.87 0.00 0.00 176.83 175.56 1ixx n ASP 85 N -2.33 1.31 0.00 4.97 5.68 -1.26 -4.94 116.55 119.98 1ixx n ASP 85 Ca -0.01 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.04 1ixx n ASP 85 Cb 0.05 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 2.09 3.44 6.12 0.00 -0.50 -5.07 105.19 112.52 1ixx n GLY 86 Ca 0.16 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1ixx n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ixx n SER 87 N 0.08 -1.48 -4.86 1.61 7.64 -1.26 -4.64 113.62 110.71 1ixx n SER 87 Ca 0.00 0.55 -0.32 0.00 1.01 0.00 0.00 58.87 60.11 1ixx n SER 87 Cb 0.00 -1.20 -0.06 0.00 -1.01 0.00 0.00 64.21 61.95 1ixx n SER 87 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ixx s SER 88 N -1.52 6.68 -0.60 6.43 0.01 -1.26 -0.98 113.70 122.46 1ixx s SER 88 Ca 0.63 1.08 -0.22 0.00 1.31 0.00 0.00 55.95 58.76 1ixx s SER 88 Cb -0.33 -2.29 0.07 0.00 0.21 0.00 0.00 66.02 63.67 1ixx s SER 88 CO 0.60 -0.15 0.88 -0.69 0.41 0.00 0.00 173.24 174.29 1ixx s VAL 89 N -1.92 4.47 -0.10 3.43 1.01 -0.22 -4.76 120.40 122.31 1ixx s VAL 89 Ca 0.50 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1ixx s VAL 89 Cb -0.11 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 1ixx s VAL 89 CO 0.20 -1.24 -0.21 -1.20 0.00 0.00 0.00 175.10 172.65 1ixx n SER 90 N 7.27 1.30 -4.74 3.32 7.64 -1.26 -4.99 113.62 122.17 1ixx n SER 90 Ca -0.04 0.22 -0.41 0.00 1.01 0.00 0.00 58.87 59.65 1ixx n SER 90 Cb 0.46 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 1ixx n SER 90 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1ixx s TYR 91 N -2.27 3.71 0.07 1.43 5.04 -1.26 -5.05 117.35 119.02 1ixx s TYR 91 Ca -0.18 1.71 -0.08 0.00 -2.44 0.00 0.00 57.07 56.08 1ixx s TYR 91 Cb 0.02 -3.17 -0.00 0.00 0.35 0.00 0.00 41.96 39.16 1ixx s TYR 91 CO 0.26 -0.23 0.17 -1.83 -1.34 0.00 0.00 175.55 172.58 1ixx s GLU 92 N -0.47 0.78 -0.42 4.97 4.04 -1.26 -5.09 118.70 121.26 1ixx s GLU 92 Ca 0.47 -0.91 0.09 0.00 0.04 0.00 0.00 54.97 54.66 1ixx s GLU 92 Cb -0.27 0.32 0.35 0.00 0.02 0.00 0.00 34.13 34.54 1ixx s GLU 92 CO 0.34 -0.23 1.06 -1.71 -1.84 0.00 0.00 175.26 172.87 1ixx n ASN 93 N 0.14 -1.19 -4.79 0.83 5.15 -1.26 -5.14 115.26 109.00 1ixx n ASN 93 Ca -0.16 -3.22 -0.35 0.00 -0.60 0.00 0.00 54.58 50.25 1ixx n ASN 93 Cb 0.61 0.95 -0.02 0.00 -0.53 0.00 0.00 39.78 40.79 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 -0.67 2.88 -0.05 1.20 0.52 -1.26 -5.02 118.94 116.53 1ixx s TRP 94 Ca 0.27 1.57 -0.23 0.00 0.02 0.00 0.00 56.10 57.73 1ixx s TRP 94 Cb 0.34 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.46 1ixx s TRP 94 CO -0.06 -1.13 0.67 0.42 0.02 0.00 0.00 176.95 176.88 1ixx s ILE 95 N -1.88 5.02 0.34 2.03 1.01 -1.26 -4.94 121.20 121.53 1ixx s ILE 95 Ca 0.69 1.38 0.10 0.00 0.00 0.00 0.00 60.65 62.82 1ixx s ILE 95 Cb -0.20 -4.01 0.33 0.00 0.01 0.00 0.00 42.46 38.59 1ixx s ILE 95 CO 0.23 0.29 1.81 -0.08 0.00 0.00 0.00 174.94 177.19 1ixx h GLU 96 N 6.53 0.63 0.00 2.79 4.57 -1.98 -0.56 114.58 126.56 1ixx h GLU 96 Ca -0.42 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1ixx h GLU 96 Cb 1.20 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1ixx h GLU 96 CO 0.74 0.42 0.00 0.00 -1.18 0.00 0.00 179.01 178.99 1ixx n ALA 97 N -2.40 2.04 0.32 2.92 0.00 -1.26 -2.89 120.51 119.23 1ixx n ALA 97 Ca 0.22 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1ixx n ALA 97 Cb 0.61 -1.35 0.13 0.00 0.00 0.00 0.00 19.45 18.84 1ixx n ALA 97 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ixx h GLU 98 N 0.00 0.00 -6.01 0.00 4.39 -1.49 -3.42 114.58 108.05 1ixx h GLU 98 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 1ixx h GLU 98 Cb 0.29 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.84 1ixx h GLU 98 CO 0.00 0.00 1.10 -1.12 -1.16 0.00 0.00 179.01 177.83 1ixx s SER 99 N -5.12 6.31 -1.18 1.42 0.01 -1.14 -4.90 113.70 109.10 1ixx s SER 99 Ca 0.04 -1.00 -0.10 0.00 1.31 0.00 0.00 55.95 56.21 1ixx s SER 99 Cb 0.10 -2.53 0.23 0.00 0.21 0.00 0.00 66.02 64.03 1ixx s SER 99 CO 0.72 -1.60 1.45 0.29 0.41 0.00 0.00 173.24 174.51 1ixx n LYS 100 N 8.70 3.67 -0.61 12.44 5.02 -1.26 -4.40 118.16 141.72 1ixx n LYS 100 Ca 0.13 -4.08 0.08 0.00 -2.02 0.00 0.00 58.31 52.42 1ixx n LYS 100 Cb 0.49 -2.78 0.33 0.00 -0.02 0.00 0.00 35.03 33.05 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 3.21 2.03 -4.32 -0.18 -2.24 -1.14 -4.14 114.28 107.50 1ixx n THR 101 Ca 0.32 -1.34 -0.23 0.00 -2.27 0.00 0.00 64.05 60.53 1ixx n THR 101 Cb 0.39 0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.46 2.50 0.26 0.00 1.43 -0.99 -0.03 118.68 119.39 1ixx s LEU 103 Ca 0.13 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1ixx s LEU 103 Cb -0.07 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 1ixx s LEU 103 CO 0.06 0.17 0.38 -0.83 0.23 0.00 0.00 176.35 176.35 1ixx s GLY 104 N -2.23 1.04 0.09 -3.19 0.00 -0.49 -2.58 107.32 99.95 1ixx s GLY 104 Ca 0.17 -1.28 0.04 0.00 0.00 0.00 0.00 44.72 43.65 1ixx s GLY 104 CO 0.08 -0.94 0.05 1.08 0.00 0.00 0.00 173.10 173.38 1ixx s LEU 105 N -3.12 3.68 0.03 0.66 1.43 0.03 0.20 118.68 121.59 1ixx s LEU 105 Ca 0.29 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 1ixx s LEU 105 Cb 0.02 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.87 1ixx s LEU 105 CO 0.13 0.17 0.25 -1.83 0.23 0.00 0.00 176.35 175.29 1ixx s GLU 106 N -2.40 0.71 0.26 1.70 -1.05 -1.26 -1.05 118.70 115.61 1ixx s GLU 106 Ca 0.28 -0.49 -0.02 0.00 -0.15 0.00 0.00 54.97 54.59 1ixx s GLU 106 Cb -0.12 0.30 0.45 0.00 -0.44 0.00 0.00 34.13 34.32 1ixx s GLU 106 CO 0.21 -0.21 1.85 -0.22 0.95 0.00 0.00 175.26 177.84 1ixx h LYS 107 N 3.53 0.98 -1.05 -4.83 3.64 -1.81 -1.44 116.57 115.59 1ixx h LYS 107 Ca -0.31 -0.06 0.30 0.00 -1.27 0.00 0.00 60.65 59.31 1ixx h LYS 107 Cb 1.19 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 1ixx h LYS 107 CO 0.45 0.65 0.75 1.49 -2.27 0.00 0.00 179.45 180.52 1ixx h GLU 108 N 1.01 0.03 -0.17 1.90 4.81 -1.97 0.18 114.58 120.37 1ixx h GLU 108 Ca 0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1ixx h GLU 108 Cb 0.33 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ixx h GLU 108 CO -0.22 0.02 0.00 0.25 -0.73 0.00 0.00 179.01 178.33 1ixx n THR 109 N -4.25 1.38 -2.00 0.32 -2.24 -0.86 -4.99 114.28 101.65 1ixx n THR 109 Ca 0.22 -1.36 -0.15 0.00 -2.27 0.00 0.00 64.05 60.50 1ixx n THR 109 Cb 1.09 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.29 -4.55 -2.29 3.42 8.00 0.63 -3.14 116.55 118.33 1ixx n ASP 110 Ca 0.11 0.11 -0.17 0.00 0.71 0.00 0.00 54.79 55.54 1ixx n ASP 110 Cb 0.49 -3.58 -0.02 0.00 -0.02 0.00 0.00 41.12 38.00 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 -3.54 -1.04 -0.01 1.24 3.72 -0.60 -4.81 117.46 112.43 1ixx n PHE 111 Ca -0.16 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.27 1ixx n PHE 111 Cb 0.58 -3.42 -0.06 0.00 -0.94 0.00 0.00 39.48 35.65 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 -2.82 0.51 -4.15 -1.08 1.74 -1.19 -4.21 116.66 105.47 1ixx n ARG 112 Ca -0.20 -0.06 -0.31 0.00 -0.77 0.00 0.00 57.85 56.51 1ixx n ARG 112 Cb 0.64 -1.18 -0.08 0.00 -1.02 0.00 0.00 32.46 30.82 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 -2.49 2.63 -0.13 5.56 -0.14 -1.26 -5.00 119.74 118.91 1ixx s LYS 113 Ca -0.03 -0.78 -0.16 0.00 -1.36 0.00 0.00 55.97 53.65 1ixx s LYS 113 Cb 0.05 -2.59 -0.05 0.00 -1.68 0.00 0.00 37.83 33.56 1ixx s LYS 113 CO 0.31 0.56 0.38 -1.58 -0.76 0.00 0.00 175.35 174.26 1ixx s TRP 114 N -1.28 3.51 -0.02 3.18 0.51 -1.26 -4.40 118.94 119.18 1ixx s TRP 114 Ca 0.25 0.75 0.03 0.00 -2.12 0.00 0.00 56.10 55.01 1ixx s TRP 114 Cb -0.12 -2.42 -0.03 0.00 -0.81 0.00 0.00 33.47 30.09 1ixx s TRP 114 CO 0.17 0.25 -0.07 0.08 -0.51 0.00 0.00 176.95 176.87 1ixx s VAL 115 N 0.39 3.62 -0.28 4.03 1.01 0.13 -4.87 120.40 124.43 1ixx s VAL 115 Ca 0.21 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 1ixx s VAL 115 Cb -0.14 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1ixx s VAL 115 CO 0.07 0.46 0.96 0.20 0.00 0.00 0.00 175.10 176.80 1ixx s ASN 116 N -1.22 6.89 0.10 3.32 -0.87 -1.26 -1.40 114.94 120.50 1ixx s ASN 116 Ca 0.15 1.03 0.02 0.00 -1.57 0.00 0.00 52.86 52.50 1ixx s ASN 116 Cb -0.11 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.58 1ixx s ASN 116 CO 0.05 -0.72 -0.07 0.27 -2.57 0.00 0.00 177.10 174.07 1ixx s ILE 117 N 3.27 0.71 -0.03 0.60 -4.36 0.96 -4.89 121.20 117.46 1ixx s ILE 117 Ca 0.40 -1.88 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 1ixx s ILE 117 Cb -0.14 -1.61 -0.06 0.00 1.25 0.00 0.00 42.46 41.91 1ixx s ILE 117 CO 0.11 -0.83 1.55 -0.47 0.24 0.00 0.00 174.94 175.55 1ixx s TYR 118 N -3.42 2.38 0.59 1.37 5.04 -1.26 -1.90 117.35 120.14 1ixx s TYR 118 Ca 0.10 0.46 0.29 0.00 -2.44 0.00 0.00 57.07 55.48 1ixx s TYR 118 Cb 0.04 -3.82 1.56 0.00 0.35 0.00 0.00 41.96 40.09 1ixx s TYR 118 CO -0.04 -3.28 1.98 0.00 -1.34 0.00 0.00 175.55 172.87 1ixx n GLY 120 N -1.45 -0.88 3.83 0.00 0.00 -1.26 -2.13 105.19 103.30 1ixx n GLY 120 Ca 0.05 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.97 3.64 -0.45 1.61 -0.21 -0.46 -4.87 119.66 116.94 1ixx s GLN 121 Ca 0.13 1.02 -0.12 0.00 0.02 0.00 0.00 55.36 56.41 1ixx s GLN 121 Cb 0.06 -2.09 0.08 0.00 1.00 0.00 0.00 33.01 32.07 1ixx s GLN 121 CO 0.10 -0.53 0.33 -0.65 -2.12 0.00 0.00 175.29 172.42 1ixx s GLN 122 N -4.25 2.76 0.15 2.91 -0.21 -1.26 -3.55 119.66 116.21 1ixx s GLN 122 Ca 0.60 -1.45 0.05 0.00 0.02 0.00 0.00 55.36 54.59 1ixx s GLN 122 Cb -0.12 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 29.89 1ixx s GLN 122 CO 0.37 -1.01 -0.12 -0.80 -2.12 0.00 0.00 175.29 171.61 1ixx s ASN 123 N 2.41 1.93 0.99 5.90 0.02 0.49 -4.58 114.94 122.10 1ixx s ASN 123 Ca 0.04 -0.96 -0.15 0.00 -1.02 0.00 0.00 52.86 50.77 1ixx s ASN 123 Cb -0.24 -0.04 0.18 0.00 0.02 0.00 0.00 41.25 41.17 1ixx s ASN 123 CO 0.04 -0.26 1.17 -2.16 0.02 0.00 0.00 177.10 175.91 1ixx s PRO 124 N -3.43 0.50 0.34 -0.60 0.04 -1.12 -1.87 135.00 128.87 1ixx s PRO 124 Ca 0.15 0.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.08 1ixx s PRO 124 Cb 0.00 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.80 1ixx s PRO 124 CO 0.02 -2.58 0.79 -0.59 0.04 0.00 0.00 177.00 174.67 1ixx s PHE 125 N -3.35 0.03 -0.03 0.56 -0.71 -0.77 -1.24 117.98 112.47 1ixx s PHE 125 Ca 0.68 -0.63 0.06 0.00 -1.04 0.00 0.00 56.93 56.00 1ixx s PHE 125 Cb -0.11 0.80 -0.01 0.00 -1.21 0.00 0.00 43.02 42.48 1ixx s PHE 125 CO 0.54 -1.44 -0.21 0.08 -1.34 0.00 0.00 175.22 172.85 1ixx s VAL 126 N -2.75 1.66 0.07 -2.49 1.01 -1.23 0.03 120.40 116.70 1ixx s VAL 126 Ca 0.14 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1ixx s VAL 126 Cb -0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1ixx s VAL 126 CO 0.10 0.47 -0.04 0.00 0.00 0.00 0.00 175.10 175.63 1ixx s GLU 128 N -2.09 0.93 0.00 0.00 2.12 -0.46 -1.88 118.70 117.33 1ixx s GLU 128 Ca 0.23 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.15 1ixx s GLU 128 Cb -0.11 -0.90 0.00 0.00 0.26 0.00 0.00 34.13 33.38 1ixx s GLU 128 CO 0.15 0.24 0.00 0.00 -0.54 0.00 0.00 175.26 175.11