#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijl h LEU 2 N 0.00 0.34 -0.40 1.04 3.38 -1.73 -0.29 115.31 117.66 1ijl h LEU 2 Ca 0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1ijl h LEU 2 Cb 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ijl h LEU 2 CO 0.00 0.24 -0.02 0.40 0.09 0.00 0.00 178.44 179.14 1ijl h ILE 3 N 0.40 1.26 -0.55 1.22 2.04 -1.98 -0.50 117.51 119.40 1ijl h ILE 3 Ca 0.16 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 1ijl h ILE 3 Cb 0.16 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1ijl h ILE 3 CO -0.04 0.36 -0.06 1.56 0.00 0.00 0.00 178.15 179.97 1ijl h GLN 4 N 0.54 1.02 -0.51 2.37 4.20 -1.76 -0.32 115.11 120.65 1ijl h GLN 4 Ca 0.11 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.49 1ijl h GLN 4 Cb 0.51 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1ijl h GLN 4 CO 0.03 1.04 0.30 0.35 -0.67 0.00 0.00 178.83 179.87 1ijl h PHE 5 N 0.90 0.55 -0.56 2.96 -0.00 -0.93 0.17 116.94 120.04 1ijl h PHE 5 Ca 0.15 0.02 -0.07 0.00 -0.00 0.00 0.00 57.97 58.07 1ijl h PHE 5 Cb 0.62 -0.17 -0.02 0.00 -0.00 0.00 0.00 35.95 36.38 1ijl h PHE 5 CO 0.04 0.31 0.07 1.49 -0.00 0.00 0.00 178.31 180.22 1ijl h GLU 6 N 0.58 0.93 -0.58 1.11 4.81 -0.83 -1.64 114.58 118.96 1ijl h GLU 6 Ca 0.21 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1ijl h GLU 6 Cb 0.05 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1ijl h GLU 6 CO -0.11 0.91 0.21 1.15 -0.73 0.00 0.00 179.01 180.44 1ijl h THR 7 N 0.82 1.22 0.00 0.32 2.02 -0.50 -1.26 112.91 115.53 1ijl h THR 7 Ca 0.17 -0.71 -0.10 0.00 0.77 0.00 0.00 66.41 66.54 1ijl h THR 7 Cb 0.44 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1ijl h THR 7 CO 0.02 0.28 -0.48 -0.07 0.37 0.00 0.00 175.52 175.64 1ijl h LEU 8 N 0.84 0.00 -0.20 2.58 4.07 -0.35 -1.33 115.31 120.92 1ijl h LEU 8 Ca 0.20 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 58.02 1ijl h LEU 8 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1ijl h LEU 8 CO -0.01 0.48 -0.40 0.40 -1.08 0.00 0.00 178.44 177.82 1ijl h ILE 9 N 0.00 1.32 -0.65 1.22 2.04 -0.64 -1.26 117.51 119.55 1ijl h ILE 9 Ca -0.00 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 1ijl h ILE 9 Cb 0.85 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1ijl h ILE 9 CO 0.06 0.51 0.40 0.24 0.00 0.00 0.00 178.15 179.35 1ijl h MET 10 N 0.32 0.88 -0.07 2.37 2.86 -1.03 -0.78 114.93 119.48 1ijl h MET 10 Ca 0.01 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.39 1ijl h MET 10 Cb 1.00 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1ijl h MET 10 CO 0.09 0.62 -0.72 0.87 1.06 0.00 0.00 176.91 178.84 1ijl h LYS 11 N 0.88 0.34 0.00 1.72 1.57 -1.20 -2.73 116.57 117.15 1ijl h LYS 11 Ca 0.23 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1ijl h LYS 11 Cb -0.03 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1ijl h LYS 11 CO -0.04 0.92 -0.63 0.28 -0.57 0.00 0.00 179.45 179.40 1ijl h VAL 12 N 0.23 0.42 0.00 0.50 2.07 -1.17 -3.36 116.25 114.94 1ijl h VAL 12 Ca -0.03 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1ijl h VAL 12 Cb 1.28 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1ijl h VAL 12 CO 0.12 0.14 0.00 0.52 0.02 0.00 0.00 177.57 178.37 1ijl n VAL 13 N -4.58 0.98 -0.36 2.57 0.31 -0.30 -4.83 118.33 112.12 1ijl n VAL 13 Ca -0.14 0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.43 1ijl n VAL 13 Cb 0.37 -1.04 -0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1ijl n VAL 13 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ijl n LYS 14 N -1.42 -1.76 -2.69 5.55 4.76 -1.03 -4.39 118.16 117.17 1ijl n LYS 14 Ca 0.04 0.08 -0.05 0.00 -2.87 0.00 0.00 58.31 55.51 1ijl n LYS 14 Cb 0.13 -3.15 0.11 0.00 -1.84 0.00 0.00 35.03 30.28 1ijl n LYS 14 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ijl n LYS 15 N -0.21 1.28 0.06 1.97 5.02 -1.26 -4.94 118.16 120.09 1ijl n LYS 15 Ca -0.01 -1.85 0.12 0.00 -2.02 0.00 0.00 58.31 54.56 1ijl n LYS 15 Cb 0.06 -0.09 0.47 0.00 -0.02 0.00 0.00 35.03 35.46 1ijl n LYS 15 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ijl n SER 16 N -0.87 0.41 0.11 4.39 7.64 -1.26 -2.61 113.62 121.43 1ijl n SER 16 Ca -0.06 0.56 -0.03 0.00 1.01 0.00 0.00 58.87 60.34 1ijl n SER 16 Cb 0.85 -0.66 0.16 0.00 -1.01 0.00 0.00 64.21 63.55 1ijl n SER 16 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ijl h GLY 17 N 3.95 0.15 -0.31 0.23 0.00 -1.94 -3.31 103.07 101.85 1ijl h GLY 17 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1ijl h GLY 17 CO 0.00 0.17 -0.29 1.03 0.00 0.00 0.00 176.54 177.44 1ijl n MET 18 N -3.87 2.66 -3.91 4.80 2.00 -1.20 -4.86 117.12 112.75 1ijl n MET 18 Ca -0.02 -0.40 -0.34 0.00 0.00 0.00 0.00 57.70 56.94 1ijl n MET 18 Cb 0.60 -1.04 -0.13 0.00 0.00 0.00 0.00 33.22 32.64 1ijl n MET 18 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1ijl s PHE 19 N -1.55 3.57 0.08 2.03 0.40 -1.07 -5.10 117.98 116.33 1ijl s PHE 19 Ca 0.07 -2.51 -0.04 0.00 -0.60 0.00 0.00 56.93 53.85 1ijl s PHE 19 Cb 0.08 -2.82 -0.05 0.00 0.51 0.00 0.00 43.02 40.74 1ijl s PHE 19 CO 0.30 -0.93 0.29 -1.58 0.70 0.00 0.00 175.22 174.01 1ijl s TRP 20 N 1.08 3.52 -0.15 0.36 0.51 -1.26 -4.64 118.94 118.36 1ijl s TRP 20 Ca 0.05 0.46 0.16 0.00 -2.12 0.00 0.00 56.10 54.65 1ijl s TRP 20 Cb -0.21 -1.92 0.42 0.00 -0.81 0.00 0.00 33.47 30.96 1ijl s TRP 20 CO -0.05 0.53 1.20 0.66 -0.51 0.00 0.00 176.95 178.79 1ijl n TYR 21 N 0.43 0.06 0.15 -1.98 4.01 -1.26 -4.80 117.16 113.76 1ijl n TYR 21 Ca -0.06 -1.20 0.11 0.00 -0.16 0.00 0.00 57.90 56.59 1ijl n TYR 21 Cb 0.52 -0.22 -0.08 0.00 -0.31 0.00 0.00 39.34 39.24 1ijl n TYR 21 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ijl n SER 22 N -0.60 0.41 -2.77 7.72 3.41 -1.26 -3.51 113.62 117.02 1ijl n SER 22 Ca 0.15 0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.72 1ijl n SER 22 Cb 0.84 1.26 0.08 0.00 -0.26 0.00 0.00 64.21 66.14 1ijl n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ijl n ALA 23 N -2.14 0.77 -3.11 7.33 0.00 -0.64 -3.84 120.51 118.88 1ijl n ALA 23 Ca -0.02 -1.82 -0.33 0.00 0.00 0.00 0.00 53.44 51.28 1ijl n ALA 23 Cb 0.54 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.79 1ijl n ALA 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ijl s TYR 24 N -0.46 2.76 0.00 0.00 5.04 0.47 -0.58 117.35 124.59 1ijl s TYR 24 Ca 0.25 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 1ijl s TYR 24 Cb 0.36 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.85 1ijl s TYR 24 CO -0.06 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.31 1ijl n GLY 25 N 3.53 2.63 0.00 8.97 0.00 -0.20 -1.67 105.19 118.46 1ijl n GLY 25 Ca -0.18 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.46 1ijl n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ijl n TYR 27 N -1.57 0.00 -2.93 0.00 4.01 -1.25 -3.16 117.16 112.26 1ijl n TYR 27 Ca 0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.31 1ijl n TYR 27 Cb 0.27 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 1ijl n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ijl n GLY 29 N 5.48 -0.30 3.70 0.00 0.00 -1.23 -0.39 105.19 112.44 1ijl n GLY 29 Ca 0.21 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1ijl n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ijl s TRP 30 N -2.23 2.62 0.00 1.61 0.52 -1.26 -4.69 118.94 115.50 1ijl s TRP 30 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 56.10 56.58 1ijl s TRP 30 Cb 0.00 -3.91 0.00 0.00 -1.15 0.00 0.00 33.47 28.41 1ijl s TRP 30 CO 0.00 -3.57 0.00 0.41 0.02 0.00 0.00 176.95 173.81 1ijl n GLY 31 N 3.89 -0.17 0.00 0.98 0.00 -1.26 -5.03 105.19 103.60 1ijl n GLY 31 Ca 0.15 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1ijl n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ijl n GLY 32 N 0.00 4.35 3.56 -0.02 0.00 -1.26 -4.84 105.19 106.98 1ijl n GLY 32 Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 1ijl n GLY 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ijl s HIS 33 N -1.20 -0.25 0.00 1.61 5.04 -1.19 -5.04 115.29 114.26 1ijl s HIS 33 Ca 0.00 0.13 0.00 0.00 -1.54 0.00 0.00 55.06 53.65 1ijl s HIS 33 Cb 0.00 0.54 0.00 0.00 0.04 0.00 0.00 32.58 33.16 1ijl s HIS 33 CO 0.00 -0.47 0.00 0.41 -2.34 0.00 0.00 174.74 172.34 1ijl n GLY 34 N -0.24 0.35 3.06 1.59 0.00 -0.09 -4.75 105.19 105.12 1ijl n GLY 34 Ca -0.06 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 1ijl n GLY 34 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ijl s ARG 35 N 0.00 0.52 0.10 1.61 1.70 -1.26 -3.94 118.95 117.67 1ijl s ARG 35 Ca 0.00 -0.89 -0.35 0.00 -0.47 0.00 0.00 55.73 54.01 1ijl s ARG 35 Cb 0.00 -0.03 -0.15 0.00 -0.57 0.00 0.00 34.95 34.20 1ijl s ARG 35 CO 0.00 -0.03 1.50 -2.30 -1.08 0.00 0.00 175.30 173.39 1ijl n PRO 36 N 0.99 1.70 0.13 3.89 -0.02 -1.26 -4.67 135.00 135.76 1ijl n PRO 36 Ca -0.20 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 1ijl n PRO 36 Cb 0.57 -2.33 0.04 0.00 -0.02 0.00 0.00 33.50 31.76 1ijl n PRO 36 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1ijl h GLN 37 N 5.59 0.00 0.00 -0.52 1.08 -1.97 -3.47 115.11 115.81 1ijl h GLN 37 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1ijl h GLN 37 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1ijl h GLN 37 CO 0.85 0.06 0.00 -0.40 -0.95 0.00 0.00 178.83 178.39 1ijl n ASP 38 N -2.85 0.00 -0.02 1.46 3.85 -1.26 -5.01 116.55 112.72 1ijl n ASP 38 Ca 0.00 -0.44 -0.12 0.00 -0.71 0.00 0.00 54.79 53.51 1ijl n ASP 38 Cb 0.58 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.28 1ijl n ASP 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ijl h ALA 39 N 1.98 0.08 -0.21 2.12 0.00 -1.94 -1.30 119.26 119.99 1ijl h ALA 39 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ijl h ALA 39 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ijl h ALA 39 CO 0.00 -0.23 0.14 1.15 0.00 0.00 0.00 179.25 180.30 1ijl h THR 40 N -0.21 1.07 0.00 0.00 2.02 -1.91 -1.21 112.91 112.67 1ijl h THR 40 Ca 0.02 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ijl h THR 40 Cb 0.36 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1ijl h THR 40 CO 0.00 0.06 -0.01 -0.78 0.37 0.00 0.00 175.52 175.17 1ijl h ASP 41 N 0.28 0.00 0.79 4.18 3.58 -1.90 0.15 116.42 123.49 1ijl h ASP 41 Ca 0.08 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.37 1ijl h ASP 41 Cb -0.01 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1ijl h ASP 41 CO -0.02 0.01 -0.77 -0.09 -2.88 0.00 0.00 179.24 175.49 1ijl h ARG 42 N 0.00 0.00 -0.83 0.28 2.43 -0.23 -2.09 114.38 113.94 1ijl h ARG 42 Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1ijl h ARG 42 Cb 0.02 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1ijl h ARG 42 CO 0.00 0.77 0.55 0.00 -1.51 0.00 0.00 179.97 179.79 1ijl h PHE 45 N 0.07 0.68 -0.41 0.00 3.04 -0.73 -0.26 116.94 119.33 1ijl h PHE 45 Ca -0.01 -0.13 -0.08 0.00 3.98 0.00 0.00 57.97 61.74 1ijl h PHE 45 Cb 1.15 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 1ijl h PHE 45 CO 0.01 0.74 -0.07 0.28 -2.02 0.00 0.00 178.31 177.25 1ijl h VAL 46 N 0.42 1.25 -0.47 1.41 2.07 -1.28 -1.72 116.25 117.93 1ijl h VAL 46 Ca 0.09 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 1ijl h VAL 46 Cb 0.49 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1ijl h VAL 46 CO 0.02 0.37 0.06 -0.74 0.02 0.00 0.00 177.57 177.30 1ijl h HIS 47 N 0.65 0.84 -0.27 1.57 -0.00 -1.17 0.22 115.15 116.99 1ijl h HIS 47 Ca 0.12 -0.12 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 1ijl h HIS 47 Cb 0.51 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 1ijl h HIS 47 CO 0.02 0.79 -0.06 -0.44 -0.00 0.00 0.00 177.93 178.24 1ijl h ASP 48 N 0.65 0.40 0.12 3.26 5.19 -0.75 -1.22 116.42 124.07 1ijl h ASP 48 Ca 0.14 -0.08 -0.15 0.00 -0.62 0.00 0.00 57.03 56.32 1ijl h ASP 48 Cb 0.41 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1ijl h ASP 48 CO 0.01 0.52 -0.53 0.00 -3.12 0.00 0.00 179.24 176.12 1ijl h TYR 51 N 0.75 0.04 0.00 0.00 0.99 -1.14 -3.09 116.97 114.52 1ijl h TYR 51 Ca 0.09 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.71 1ijl h TYR 51 Cb 0.83 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.54 1ijl h TYR 51 CO 0.05 0.62 -0.46 0.78 -0.00 0.00 0.00 178.16 179.15 1ijl h GLY 52 N 1.74 0.00 -1.35 3.88 0.00 -1.12 -3.17 103.07 103.05 1ijl h GLY 52 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ijl h GLY 52 CO 0.08 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.90 1ijl n LYS 53 N -3.48 1.90 -4.64 4.80 5.02 -0.84 -4.87 118.16 116.06 1ijl n LYS 53 Ca 0.00 -0.94 -0.34 0.00 -2.02 0.00 0.00 58.31 55.02 1ijl n LYS 53 Cb 0.59 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 34.02 1ijl n LYS 53 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ijl s VAL 54 N -1.62 3.64 -0.03 -0.18 -7.23 -1.20 -5.08 120.40 108.70 1ijl s VAL 54 Ca 0.17 -0.50 -0.05 0.00 -1.81 0.00 0.00 61.98 59.79 1ijl s VAL 54 Cb 0.11 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.56 1ijl s VAL 54 CO 0.08 0.59 0.13 0.42 -0.31 0.00 0.00 175.10 176.01 1ijl s THR 55 N -0.68 0.03 0.00 5.32 -4.23 -1.26 -4.86 115.64 109.97 1ijl s THR 55 Ca 0.10 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1ijl s THR 55 Cb -0.11 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1ijl s THR 55 CO 0.02 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1ijl n GLY 56 N 2.41 2.21 3.48 3.99 0.00 -1.26 -4.95 105.19 111.08 1ijl n GLY 56 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1ijl n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ijl s ASP 58 N -2.98 5.69 0.43 0.00 3.68 -1.26 -4.98 116.67 117.26 1ijl s ASP 58 Ca 0.19 -0.07 0.29 0.00 2.13 0.00 0.00 52.55 55.08 1ijl s ASP 58 Cb 0.01 -2.04 1.06 0.00 -1.45 0.00 0.00 42.92 40.49 1ijl s ASP 58 CO 0.04 -0.03 1.84 1.55 0.13 0.00 0.00 175.17 178.69 1ijl h PRO 59 N 8.25 0.00 0.15 4.34 0.13 -1.91 -1.55 132.00 141.41 1ijl h PRO 59 Ca -0.36 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.55 1ijl h PRO 59 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1ijl h PRO 59 CO 0.57 0.00 -0.97 0.87 -0.23 0.00 0.00 178.00 178.24 1ijl h LYS 60 N 0.00 0.31 0.00 0.86 1.79 -1.94 -3.32 116.57 114.27 1ijl h LYS 60 Ca 0.00 -0.53 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1ijl h LYS 60 Cb 0.58 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1ijl h LYS 60 CO 0.00 1.26 -1.09 -1.33 -1.08 0.00 0.00 179.45 177.21 1ijl n MET 61 N -4.06 1.54 -2.63 3.15 0.00 -1.24 -2.67 117.12 111.21 1ijl n MET 61 Ca -0.16 -0.06 -0.41 0.00 0.00 0.00 0.00 57.70 57.08 1ijl n MET 61 Cb 0.86 -1.12 -0.05 0.00 0.00 0.00 0.00 33.22 32.92 1ijl n MET 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1ijl s ASP 62 N -2.66 7.41 -0.09 7.83 1.11 -0.58 -4.74 116.67 124.95 1ijl s ASP 62 Ca -0.01 1.98 -0.10 0.00 0.18 0.00 0.00 52.55 54.60 1ijl s ASP 62 Cb 0.06 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 1ijl s ASP 62 CO 0.38 -0.09 0.23 -0.44 1.18 0.00 0.00 175.17 176.43 1ijl s SER 63 N -0.34 6.51 0.44 0.27 0.01 -1.26 -0.59 113.70 118.74 1ijl s SER 63 Ca 0.47 0.60 0.06 0.00 1.31 0.00 0.00 55.95 58.39 1ijl s SER 63 Cb -0.27 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1ijl s SER 63 CO 0.33 0.35 0.19 -0.72 0.41 0.00 0.00 173.24 173.79 1ijl s TYR 64 N -0.84 2.41 0.01 2.43 1.13 -1.26 -4.93 117.35 116.29 1ijl s TYR 64 Ca 0.17 -0.66 -0.01 0.00 -1.41 0.00 0.00 57.07 55.17 1ijl s TYR 64 Cb -0.13 -1.92 -0.04 0.00 -1.10 0.00 0.00 41.96 38.77 1ijl s TYR 64 CO 0.06 0.11 0.12 0.99 -2.51 0.00 0.00 175.55 174.33 1ijl s THR 65 N -2.65 4.95 -0.05 -3.49 2.01 -1.26 -5.02 115.64 110.13 1ijl s THR 65 Ca 0.36 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 1ijl s THR 65 Cb 0.03 -3.31 0.10 0.00 0.01 0.00 0.00 72.50 69.33 1ijl s THR 65 CO 0.20 0.30 0.82 -0.72 -0.69 0.00 0.00 174.62 174.54 1ijl s TYR 66 N -1.28 -0.47 0.45 4.92 1.13 -1.26 -2.57 117.35 118.27 1ijl s TYR 66 Ca 0.26 0.63 0.04 0.00 -1.41 0.00 0.00 57.07 56.59 1ijl s TYR 66 Cb -0.12 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.17 1ijl s TYR 66 CO 0.17 -0.54 0.01 -1.12 -2.51 0.00 0.00 175.55 171.57 1ijl s SER 67 N -1.70 3.88 -0.48 -0.18 0.01 -0.05 -4.96 113.70 110.22 1ijl s SER 67 Ca -0.02 -1.52 0.07 0.00 1.31 0.00 0.00 55.95 55.79 1ijl s SER 67 Cb -0.01 0.09 0.25 0.00 0.21 0.00 0.00 66.02 66.57 1ijl s SER 67 CO -0.01 -0.67 0.62 -0.62 0.41 0.00 0.00 173.24 172.97 1ijl n GLU 68 N -1.09 1.42 -2.31 12.44 1.02 -1.26 -1.85 120.64 129.01 1ijl n GLU 68 Ca -0.12 -3.78 -0.38 0.00 -0.02 0.00 0.00 57.16 52.87 1ijl n GLU 68 Cb 0.67 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 1ijl n GLU 68 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ijl s GLU 69 N -1.73 2.98 1.48 3.49 2.02 -1.17 -4.57 118.70 121.21 1ijl s GLU 69 Ca 0.37 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.19 1ijl s GLU 69 Cb 0.17 -4.64 0.00 0.00 0.10 0.00 0.00 34.13 29.76 1ijl s GLU 69 CO -0.07 -2.56 0.00 0.27 0.02 0.00 0.00 175.26 172.91 1ijl n ASN 70 N 11.14 0.00 0.00 -0.19 6.94 -1.26 -3.51 115.26 128.38 1ijl n ASN 70 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1ijl n ASN 70 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 1ijl n ASN 70 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ijl n GLY 71 N 0.00 0.85 3.97 4.83 0.00 -1.26 -5.09 105.19 108.49 1ijl n GLY 71 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1ijl n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ijl s ASP 72 N -0.01 6.29 -0.25 1.61 -1.08 -1.23 -5.00 116.67 117.00 1ijl s ASP 72 Ca 0.00 0.06 -0.08 0.00 -0.52 0.00 0.00 52.55 52.00 1ijl s ASP 72 Cb 0.00 -1.83 -0.03 0.00 -1.46 0.00 0.00 42.92 39.59 1ijl s ASP 72 CO 0.00 -0.08 0.10 -0.63 0.52 0.00 0.00 175.17 175.08 1ijl s ILE 73 N -1.99 4.58 -0.20 4.11 1.01 -1.26 -3.04 121.20 124.41 1ijl s ILE 73 Ca 0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 1ijl s ILE 73 Cb -0.09 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1ijl s ILE 73 CO 0.29 0.32 0.01 -0.69 0.00 0.00 0.00 174.94 174.87 1ijl s VAL 74 N 1.61 3.99 -0.01 2.92 1.01 -0.77 -4.97 120.40 124.17 1ijl s VAL 74 Ca 0.06 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 1ijl s VAL 74 Cb -0.15 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1ijl s VAL 74 CO 0.05 0.42 0.70 0.00 0.00 0.00 0.00 175.10 176.28 1ijl n GLY 76 N 2.69 4.68 2.66 0.00 0.00 -1.06 -4.97 105.19 109.18 1ijl n GLY 76 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1ijl n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ijl n GLY 77 N 1.10 -2.30 2.55 -0.02 0.00 -1.26 -4.63 105.19 100.63 1ijl n GLY 77 Ca 0.00 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 1ijl n GLY 77 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ijl n ASP 78 N -0.15 3.36 -3.48 1.61 3.85 -1.26 -4.98 116.55 115.49 1ijl n ASP 78 Ca 0.00 -3.29 -0.17 0.00 -0.71 0.00 0.00 54.79 50.62 1ijl n ASP 78 Cb 0.00 -0.49 -0.12 0.00 -1.35 0.00 0.00 41.12 39.16 1ijl n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1ijl s ASP 79 N -3.38 1.14 0.43 -1.12 3.68 -1.26 -5.04 116.67 111.12 1ijl s ASP 79 Ca 0.39 -0.11 0.11 0.00 2.13 0.00 0.00 52.55 55.07 1ijl s ASP 79 Cb 0.42 0.51 0.96 0.00 -1.45 0.00 0.00 42.92 43.37 1ijl s ASP 79 CO -0.09 -0.32 2.03 1.55 0.13 0.00 0.00 175.17 178.47 1ijl h PRO 80 N 8.29 0.44 -0.25 4.34 0.13 -1.94 -0.38 132.00 142.61 1ijl h PRO 80 Ca -0.17 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.79 1ijl h PRO 80 Cb 1.15 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ijl h PRO 80 CO 0.27 0.29 -0.38 0.00 -0.23 0.00 0.00 178.00 177.95 1ijl h LYS 82 N 0.43 0.00 0.00 0.00 1.57 -1.89 -2.85 116.57 113.84 1ijl h LYS 82 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1ijl h LYS 82 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1ijl h LYS 82 CO 0.09 0.79 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.58 1ijl h ARG 83 N 0.00 0.00 -0.10 3.15 2.43 -1.07 -1.92 114.38 116.87 1ijl h ARG 83 Ca -0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1ijl h ARG 83 Cb 1.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1ijl h ARG 83 CO 0.10 0.09 -0.23 0.93 -1.51 0.00 0.00 179.97 179.35 1ijl h GLU 84 N 0.00 0.34 -0.72 0.20 5.08 -1.23 -2.21 114.58 116.04 1ijl h GLU 84 Ca -0.00 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1ijl h GLU 84 Cb 0.71 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1ijl h GLU 84 CO 0.01 0.83 0.46 0.82 -1.00 0.00 0.00 179.01 180.13 1ijl h ILE 85 N -0.11 1.11 -0.65 3.13 2.04 -1.25 -1.81 117.51 119.98 1ijl h ILE 85 Ca -0.00 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1ijl h ILE 85 Cb 0.83 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1ijl h ILE 85 CO 0.05 0.16 0.24 0.00 0.00 0.00 0.00 178.15 178.60 1ijl h GLU 87 N 0.94 0.48 -0.70 0.00 4.39 -0.79 0.17 114.58 119.08 1ijl h GLU 87 Ca 0.22 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1ijl h GLU 87 Cb 0.22 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1ijl h GLU 87 CO -0.02 0.80 0.31 0.00 -1.16 0.00 0.00 179.01 178.94 1ijl h ASP 89 N 1.01 0.73 -0.14 0.00 3.45 -1.15 -3.02 116.42 117.30 1ijl h ASP 89 Ca 0.24 -0.82 0.00 0.00 0.43 0.00 0.00 57.03 56.88 1ijl h ASP 89 Cb 0.14 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1ijl h ASP 89 CO -0.03 1.48 0.09 -0.09 -1.57 0.00 0.00 179.24 179.12 1ijl h ARG 90 N 0.09 0.19 -0.26 3.56 1.12 -0.53 -1.43 114.38 117.11 1ijl h ARG 90 Ca -0.15 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.70 1ijl h ARG 90 Cb 1.70 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.61 1ijl h ARG 90 CO 0.19 0.13 0.14 0.28 -3.11 0.00 0.00 179.97 177.61 1ijl h VAL 91 N 0.19 1.12 -0.75 0.20 2.07 -1.45 -2.64 116.25 114.99 1ijl h VAL 91 Ca 0.05 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1ijl h VAL 91 Cb -0.02 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1ijl h VAL 91 CO -0.01 0.12 0.44 0.00 0.02 0.00 0.00 177.57 178.14 1ijl h ALA 92 N 1.02 0.95 -0.67 1.67 0.00 -1.40 -0.66 119.26 120.18 1ijl h ALA 92 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ijl h ALA 92 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1ijl h ALA 92 CO -0.01 0.44 0.41 0.00 0.00 0.00 0.00 179.25 180.08 1ijl h ALA 93 N 1.23 0.85 -0.37 0.00 0.00 -1.14 0.59 119.26 120.42 1ijl h ALA 93 Ca 0.27 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1ijl h ALA 93 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ijl h ALA 93 CO -0.05 0.32 -0.19 -0.44 0.00 0.00 0.00 179.25 178.89 1ijl h ASP 94 N 0.91 0.70 -0.41 0.00 3.32 -1.16 -2.06 116.42 117.72 1ijl h ASP 94 Ca 0.24 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ijl h ASP 94 Cb -0.04 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1ijl h ASP 94 CO -0.05 0.89 0.25 0.00 -1.72 0.00 0.00 179.24 178.62 1ijl h PHE 96 N 0.55 0.32 -0.31 0.00 0.05 -0.61 -2.66 116.94 114.29 1ijl h PHE 96 Ca 0.15 0.01 -0.08 0.00 3.82 0.00 0.00 57.97 61.87 1ijl h PHE 96 Cb -0.01 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 37.82 1ijl h PHE 96 CO -0.04 0.20 -0.13 -0.09 -0.18 0.00 0.00 178.31 178.07 1ijl h ARG 97 N 0.35 0.53 0.00 1.51 1.12 -0.95 -2.58 114.38 114.37 1ijl h ARG 97 Ca 0.10 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 1ijl h ARG 97 Cb -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 29.88 1ijl h ARG 97 CO -0.04 0.66 0.00 -0.25 -3.11 0.00 0.00 179.97 177.23 1ijl n ASP 98 N -4.19 0.00 -0.12 -3.80 8.00 0.43 -3.37 116.55 113.50 1ijl n ASP 98 Ca 0.01 -0.03 0.10 0.00 0.71 0.00 0.00 54.79 55.58 1ijl n ASP 98 Cb 0.33 -0.32 0.15 0.00 -0.02 0.00 0.00 41.12 41.26 1ijl n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ijl n ASN 99 N -1.32 2.41 0.24 -2.24 3.02 -0.99 -4.70 115.26 111.69 1ijl n ASN 99 Ca 0.13 -3.10 0.09 0.00 -0.03 0.00 0.00 54.58 51.67 1ijl n ASN 99 Cb 0.25 -0.44 0.62 0.00 -0.61 0.00 0.00 39.78 39.60 1ijl n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ijl h LEU 100 N 0.11 0.00 -1.01 3.41 3.38 -1.53 -2.24 115.31 117.44 1ijl h LEU 100 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ijl h LEU 100 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ijl h LEU 100 CO 0.01 0.16 0.00 -2.24 0.09 0.00 0.00 178.44 176.46 1ijl h ASP 101 N 0.00 0.00 0.00 -0.43 3.04 -1.87 -2.91 116.42 114.25 1ijl h ASP 101 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1ijl h ASP 101 Cb 0.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 1ijl h ASP 101 CO 0.02 0.00 -0.58 1.07 -2.04 0.00 0.00 179.24 177.71 1ijl n THR 102 N -2.48 0.00 -1.69 1.15 5.66 -0.87 -5.00 114.28 111.05 1ijl n THR 102 Ca 0.01 -0.26 -0.55 0.00 -3.05 0.00 0.00 64.05 60.20 1ijl n THR 102 Cb 0.23 0.92 -0.07 0.00 -1.55 0.00 0.00 70.33 69.87 1ijl n THR 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ijl n TYR 103 N -1.30 2.02 -3.33 1.09 4.19 -1.04 -4.91 117.16 113.89 1ijl n TYR 103 Ca 0.02 0.47 -0.26 0.00 3.31 0.00 0.00 57.90 61.43 1ijl n TYR 103 Cb 0.17 -2.47 -0.08 0.00 0.49 0.00 0.00 39.34 37.45 1ijl n TYR 103 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1ijl n ASN 104 N 5.10 2.06 0.25 2.98 4.05 -1.26 -4.94 115.26 123.49 1ijl n ASN 104 Ca 0.25 -3.08 0.11 0.00 0.45 0.00 0.00 54.58 52.30 1ijl n ASN 104 Cb 0.17 -0.66 0.63 0.00 1.23 0.00 0.00 39.78 41.15 1ijl n ASN 104 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1ijl h SER 105 N 4.15 0.00 -0.04 1.20 4.64 -1.93 0.73 113.55 122.29 1ijl h SER 105 Ca 0.14 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1ijl h SER 105 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1ijl h SER 105 CO 0.66 0.17 0.04 0.44 -0.87 0.00 0.00 176.83 177.26 1ijl h ASP 106 N 0.00 0.00 0.00 4.97 3.32 -1.94 -1.43 116.42 121.34 1ijl h ASP 106 Ca -0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1ijl h ASP 106 Cb 0.42 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1ijl h ASP 106 CO 0.02 0.00 -1.88 0.41 -1.72 0.00 0.00 179.24 176.07 1ijl n THR 107 N -4.22 0.88 0.56 0.35 -1.04 -0.74 -4.76 114.28 105.31 1ijl n THR 107 Ca -0.02 -0.44 0.06 0.00 -2.04 0.00 0.00 64.05 61.61 1ijl n THR 107 Cb 0.14 -0.86 0.03 0.00 -1.82 0.00 0.00 70.33 67.82 1ijl n THR 107 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ijl n TYR 108 N -2.70 0.00 -2.43 -1.42 4.02 0.17 -4.75 117.16 110.05 1ijl n TYR 108 Ca -0.24 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.22 1ijl n TYR 108 Cb 0.86 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.15 1ijl n TYR 108 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1ijl s TRP 109 N -1.29 2.86 -0.99 -0.72 -0.11 -0.54 -1.03 118.94 117.12 1ijl s TRP 109 Ca 0.14 1.02 -0.06 0.00 1.22 0.00 0.00 56.10 58.42 1ijl s TRP 109 Cb 0.11 -3.50 0.01 0.00 -1.50 0.00 0.00 33.47 28.58 1ijl s TRP 109 CO 0.22 -1.66 0.80 0.54 -4.62 0.00 0.00 176.95 172.23 1ijl n ARG 110 N 6.62 -5.44 -1.66 5.86 5.12 0.25 -4.91 116.66 122.50 1ijl n ARG 110 Ca 0.14 0.60 -0.46 0.00 -1.93 0.00 0.00 57.85 56.19 1ijl n ARG 110 Cb 0.45 -4.92 -0.04 0.00 -1.16 0.00 0.00 32.46 26.78 1ijl n ARG 110 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1ijl n TYR 111 N -4.28 2.18 -1.61 -1.55 -0.00 -1.06 -4.83 117.16 106.00 1ijl n TYR 111 Ca -0.00 0.33 -0.47 0.00 -0.00 0.00 0.00 57.90 57.75 1ijl n TYR 111 Cb 0.55 -2.51 -0.04 0.00 -0.00 0.00 0.00 39.34 37.34 1ijl n TYR 111 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1ijl n PRO 112 N 3.13 1.50 0.15 2.98 -0.02 -1.26 -4.86 135.00 136.61 1ijl n PRO 112 Ca 0.16 0.53 0.04 0.00 -2.02 0.00 0.00 63.50 62.22 1ijl n PRO 112 Cb 0.28 -2.10 0.47 0.00 -0.02 0.00 0.00 33.50 32.13 1ijl n PRO 112 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1ijl h ARG 113 N 3.75 0.20 0.00 -0.52 -0.00 -1.95 -2.57 114.38 113.29 1ijl h ARG 113 Ca -0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.51 1ijl h ARG 113 Cb 1.32 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 1ijl h ARG 113 CO 0.73 0.26 0.00 -0.56 -0.00 0.00 0.00 179.97 180.39 1ijl h GLN 114 N 0.19 0.00 -0.03 0.08 3.07 -2.02 0.15 115.11 116.55 1ijl h GLN 114 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.79 1ijl h GLN 114 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1ijl h GLN 114 CO 0.01 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.68 1ijl n ASP 115 N -2.31 1.32 -0.63 0.06 10.43 -0.97 -3.85 116.55 120.60 1ijl n ASP 115 Ca -0.01 -1.46 0.06 0.00 2.57 0.00 0.00 54.79 55.94 1ijl n ASP 115 Cb 0.05 -0.01 0.12 0.00 1.84 0.00 0.00 41.12 43.12 1ijl n ASP 115 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ijl n GLU 117 N -0.68 3.03 -3.46 0.00 1.02 -1.23 -2.35 120.64 116.96 1ijl n GLU 117 Ca 0.12 -1.75 -0.35 0.00 -0.02 0.00 0.00 57.16 55.17 1ijl n GLU 117 Cb 0.78 -1.90 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1ijl n GLU 117 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ijl s GLU 118 N -1.97 3.86 0.13 3.49 2.02 -1.26 -4.91 118.70 120.07 1ijl s GLU 118 Ca 0.30 0.33 -0.31 0.00 0.02 0.00 0.00 54.97 55.31 1ijl s GLU 118 Cb 0.24 -2.93 -0.09 0.00 0.10 0.00 0.00 34.13 31.45 1ijl s GLU 118 CO 0.09 0.50 1.48 -1.12 0.02 0.00 0.00 175.26 176.23 1ijl s SER 119 N -1.81 6.71 0.70 -0.19 0.01 -1.26 -0.91 113.70 116.95 1ijl s SER 119 Ca 0.37 2.45 -0.17 0.00 1.31 0.00 0.00 55.95 59.92 1ijl s SER 119 Cb -0.14 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.52 1ijl s SER 119 CO 0.19 -0.74 1.25 -0.81 0.41 0.00 0.00 173.24 173.53 1ijl n PRO 120 N 4.11 0.81 -2.34 12.44 -0.04 -1.25 -4.74 135.00 143.97 1ijl n PRO 120 Ca 0.13 0.34 -0.30 0.00 -0.04 0.00 0.00 63.50 63.63 1ijl n PRO 120 Cb 0.41 -2.49 -0.01 0.00 -0.04 0.00 0.00 33.50 31.37 1ijl n PRO 120 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ijl s GLU 121 N -3.58 3.67 0.80 0.54 2.02 -1.26 -5.01 118.70 115.89 1ijl s GLU 121 Ca 0.80 0.58 -0.14 0.00 0.02 0.00 0.00 54.97 56.22 1ijl s GLU 121 Cb -0.35 -2.23 0.05 0.00 0.10 0.00 0.00 34.13 31.69 1ijl s GLU 121 CO 0.44 -0.32 0.95 -2.30 0.02 0.00 0.00 175.26 174.04 1ijl n PRO 122 N -2.17 0.19 0.00 0.39 -0.02 -1.26 -5.14 135.00 126.98 1ijl n PRO 122 Ca 0.04 0.13 0.15 0.00 -2.02 0.00 0.00 63.50 61.80 1ijl n PRO 122 Cb 0.54 -2.23 0.84 0.00 -0.02 0.00 0.00 33.50 32.63 1ijl n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48