#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5j s ILE 2 N 0.00 2.05 -2.00 -0.61 -5.25 -1.26 -4.99 121.20 109.14 1a5j s ILE 2 Ca 0.00 -1.11 0.12 0.00 -0.99 0.00 0.00 60.65 58.67 1a5j s ILE 2 Cb 0.00 -1.70 0.34 0.00 2.95 0.00 0.00 42.46 44.05 1a5j s ILE 2 CO 0.00 0.58 1.28 -0.81 -1.79 0.00 0.00 174.94 174.20 1a5j n PRO 3 N 2.49 0.75 -3.21 0.37 -0.04 -1.26 -3.91 135.00 130.19 1a5j n PRO 3 Ca -0.16 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.90 1a5j n PRO 3 Cb 0.51 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 1a5j n PRO 3 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a5j n ASP 4 N -0.75 5.57 -2.90 3.54 2.03 -1.26 -4.89 116.55 117.89 1a5j n ASP 4 Ca 0.09 -3.33 -0.01 0.00 0.52 0.00 0.00 54.79 52.06 1a5j n ASP 4 Cb 0.04 -1.16 -0.01 0.00 -0.72 0.00 0.00 41.12 39.27 1a5j n ASP 4 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a5j n LEU 5 N 1.57 -4.68 0.00 -2.67 4.32 -1.26 -4.97 117.00 109.30 1a5j n LEU 5 Ca 0.26 1.28 0.00 0.00 -0.02 0.00 0.00 56.01 57.53 1a5j n LEU 5 Cb 0.36 -1.93 0.00 0.00 -1.62 0.00 0.00 43.42 40.23 1a5j n LEU 5 CO 0.59 -2.99 0.00 0.52 -1.22 0.00 0.00 177.39 174.29 1a5j n VAL 6 N 2.33 0.00 -0.16 4.08 0.31 -1.25 -4.34 118.33 119.29 1a5j n VAL 6 Ca -0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.18 1a5j n VAL 6 Cb 0.14 -0.38 0.02 0.00 -0.91 0.00 0.00 33.84 32.71 1a5j n VAL 6 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1a5j n LYS 7 N 0.00 1.30 -2.13 5.55 4.01 -1.26 -4.65 118.16 120.98 1a5j n LYS 7 Ca 0.00 -0.64 -0.00 0.00 -0.51 0.00 0.00 58.31 57.16 1a5j n LYS 7 Cb 0.00 -1.25 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 1a5j n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a5j n GLY 8 N 0.66 0.54 3.65 0.72 0.00 -1.26 -5.00 105.19 104.50 1a5j n GLY 8 Ca 0.12 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1a5j n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5j s PRO 9 N -4.24 4.14 0.03 1.61 0.04 -1.26 -4.85 135.00 130.47 1a5j s PRO 9 Ca 0.00 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 1a5j s PRO 9 Cb -0.00 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.72 1a5j s PRO 9 CO 0.01 -0.83 -0.05 0.91 0.04 0.00 0.00 177.00 177.08 1a5j n TRP 10 N 6.92 0.00 -4.49 0.56 7.02 -1.26 -4.82 117.44 121.36 1a5j n TRP 10 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1a5j n TRP 10 Cb 0.45 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 1a5j n TRP 10 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1a5j n THR 11 N -3.39 0.00 0.32 -0.99 -2.24 -1.26 -2.09 114.28 104.63 1a5j n THR 11 Ca -0.02 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 1a5j n THR 11 Cb 0.08 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 68.82 1a5j n THR 11 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1a5j h LYS 12 N 0.00 0.00 0.61 -0.78 3.64 -2.00 -3.22 116.57 114.82 1a5j h LYS 12 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1a5j h LYS 12 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1a5j h LYS 12 CO 0.00 0.00 -0.29 1.49 -2.27 0.00 0.00 179.45 178.38 1a5j h GLU 13 N 0.00 -0.78 -0.16 1.90 4.22 -1.98 0.41 114.58 118.18 1a5j h GLU 13 Ca 0.00 0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.54 1a5j h GLU 13 Cb 0.61 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1a5j h GLU 13 CO 0.00 -0.52 0.41 0.93 -2.18 0.00 0.00 179.01 177.65 1a5j h GLU 14 N -0.99 0.00 0.00 1.92 3.07 -1.45 1.63 114.58 118.76 1a5j h GLU 14 Ca -0.08 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.70 1a5j h GLU 14 Cb 0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1a5j h GLU 14 CO 0.14 0.00 -1.18 -0.44 -1.40 0.00 0.00 179.01 176.12 1a5j h ASP 15 N 0.00 0.00 1.24 1.42 3.32 -1.49 -2.86 116.42 118.05 1a5j h ASP 15 Ca 0.07 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 1a5j h ASP 15 Cb 0.90 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1a5j h ASP 15 CO -0.00 0.27 -0.78 0.06 -1.72 0.00 0.00 179.24 177.07 1a5j h GLN 16 N 0.00 0.00 0.00 3.56 3.07 0.68 -2.51 115.11 119.90 1a5j h GLN 16 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 1a5j h GLN 16 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.83 1a5j h GLN 16 CO 0.02 0.60 -0.23 -0.22 0.09 0.00 0.00 178.83 179.09 1a5j h LYS 17 N 0.00 0.00 -0.29 0.06 3.64 -0.90 -2.17 116.57 116.91 1a5j h LYS 17 Ca -0.03 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1a5j h LYS 17 Cb 1.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 1a5j h LYS 17 CO 0.08 0.56 0.21 0.28 -2.27 0.00 0.00 179.45 178.30 1a5j h VAL 18 N -1.00 0.85 0.13 2.00 2.07 -1.64 0.29 116.25 118.96 1a5j h VAL 18 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1a5j h VAL 18 Cb 0.65 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1a5j h VAL 18 CO -0.03 0.00 -0.06 0.40 0.02 0.00 0.00 177.57 177.90 1a5j h ILE 19 N 0.00 0.00 -0.01 4.57 5.03 -1.54 0.49 117.51 126.04 1a5j h ILE 19 Ca 0.14 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 1a5j h ILE 19 Cb 0.55 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.34 1a5j h ILE 19 CO -0.00 0.00 0.41 -0.08 -0.68 0.00 0.00 178.15 177.80 1a5j h GLU 20 N -0.41 0.00 0.00 2.37 4.81 -1.11 0.34 114.58 120.58 1a5j h GLU 20 Ca -0.02 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1a5j h GLU 20 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1a5j h GLU 20 CO 0.03 0.00 -0.84 -0.07 -0.73 0.00 0.00 179.01 177.40 1a5j h LEU 21 N 0.00 0.00 -1.12 1.64 3.38 -0.40 -2.33 115.31 116.47 1a5j h LEU 21 Ca 0.01 -0.61 0.09 0.00 0.09 0.00 0.00 57.88 57.46 1a5j h LEU 21 Cb 0.83 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 1a5j h LEU 21 CO -0.00 1.29 0.60 0.58 0.09 0.00 0.00 178.44 181.01 1a5j h VAL 22 N -1.00 0.99 -0.14 1.22 2.07 0.25 1.46 116.25 121.10 1a5j h VAL 22 Ca -0.23 -0.33 -0.21 0.00 0.82 0.00 0.00 66.70 66.75 1a5j h VAL 22 Cb 1.15 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1a5j h VAL 22 CO -0.14 0.18 -0.74 0.07 0.02 0.00 0.00 177.57 176.96 1a5j h LYS 23 N 0.98 0.67 0.00 1.57 2.10 -0.61 1.77 116.57 123.05 1a5j h LYS 23 Ca 0.43 -0.53 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 1a5j h LYS 23 Cb 0.36 0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1a5j h LYS 23 CO -0.19 1.15 -0.11 -0.22 -2.00 0.00 0.00 179.45 178.08 1a5j h LYS 24 N 0.47 0.00 0.00 0.07 3.64 -0.45 -3.28 116.57 117.02 1a5j h LYS 24 Ca -0.04 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.02 1a5j h LYS 24 Cb 1.35 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.12 1a5j h LYS 24 CO 0.14 0.11 -1.81 0.66 -2.27 0.00 0.00 179.45 176.29 1a5j n TYR 25 N -3.22 0.54 0.00 1.91 4.02 0.48 -5.02 117.16 115.88 1a5j n TYR 25 Ca 0.01 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 1a5j n TYR 25 Cb 0.41 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.70 1a5j n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a5j n GLY 26 N 1.36 0.40 1.69 2.72 0.00 0.57 -4.78 105.19 107.15 1a5j n GLY 26 Ca -0.41 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 1a5j n GLY 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a5j n THR 27 N 0.00 -1.93 0.07 2.61 -1.04 0.82 -4.96 114.28 109.85 1a5j n THR 27 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1a5j n THR 27 Cb 0.00 -3.34 0.00 0.00 -1.82 0.00 0.00 70.33 65.17 1a5j n THR 27 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1a5j n LYS 28 N -1.80 0.00 -2.15 -2.82 4.81 -1.26 -4.92 118.16 110.02 1a5j n LYS 28 Ca -0.05 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.02 1a5j n LYS 28 Cb 0.54 -0.22 -0.03 0.00 0.02 0.00 0.00 35.03 35.33 1a5j n LYS 28 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1a5j n GLN 29 N -3.28 2.31 0.15 1.64 3.00 -1.26 -4.67 117.38 115.27 1a5j n GLN 29 Ca 0.00 -2.73 0.11 0.00 -0.01 0.00 0.00 57.00 54.37 1a5j n GLN 29 Cb 0.00 -3.53 0.54 0.00 0.00 0.00 0.00 30.24 27.25 1a5j n GLN 29 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1a5j n TRP 30 N 10.78 0.74 -0.33 1.08 7.02 -1.26 -1.86 117.44 133.61 1a5j n TRP 30 Ca 0.47 0.35 0.05 0.00 -1.02 0.00 0.00 57.50 57.36 1a5j n TRP 30 Cb 0.45 -1.07 0.20 0.00 -2.42 0.00 0.00 31.31 28.48 1a5j n TRP 30 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1a5j h THR 31 N 0.00 0.92 -0.52 -0.99 1.03 -1.94 -1.03 112.91 110.38 1a5j h THR 31 Ca 0.00 -0.31 0.10 0.00 -0.01 0.00 0.00 66.41 66.19 1a5j h THR 31 Cb 0.12 -0.07 -0.09 0.00 -1.07 0.00 0.00 68.15 67.05 1a5j h THR 31 CO 0.00 0.16 -0.05 0.17 -0.01 0.00 0.00 175.52 175.79 1a5j h LEU 32 N 0.90 -0.33 -1.14 0.00 8.10 -1.77 1.25 115.31 122.33 1a5j h LEU 32 Ca 0.45 0.14 0.17 0.00 0.11 0.00 0.00 57.88 58.75 1a5j h LEU 32 Cb 0.42 0.26 -0.09 0.00 -0.44 0.00 0.00 40.66 40.81 1a5j h LEU 32 CO -0.26 -0.12 0.61 0.40 -4.11 0.00 0.00 178.44 174.97 1a5j h ILE 33 N 0.07 0.75 -0.61 0.15 5.03 -1.38 2.18 117.51 123.70 1a5j h ILE 33 Ca 0.26 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.75 1a5j h ILE 33 Cb 0.40 -0.04 0.00 0.00 -3.03 0.00 0.00 36.82 34.15 1a5j h ILE 33 CO -0.48 0.13 0.00 0.00 -0.68 0.00 0.00 178.15 177.13 1a5j n ALA 34 N -2.38 2.76 -0.03 1.87 0.00 0.14 -3.07 120.51 119.79 1a5j n ALA 34 Ca 0.21 -1.29 -0.05 0.00 0.00 0.00 0.00 53.44 52.31 1a5j n ALA 34 Cb 0.55 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 1a5j n ALA 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1a5j n LYS 35 N 1.18 0.17 0.12 0.00 4.81 0.40 -4.42 118.16 120.41 1a5j n LYS 35 Ca 0.23 0.04 0.12 0.00 -0.87 0.00 0.00 58.31 57.83 1a5j n LYS 35 Cb 0.70 -1.11 0.25 0.00 0.02 0.00 0.00 35.03 34.89 1a5j n LYS 35 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1a5j h HIS 36 N -0.02 0.00 -2.14 5.64 3.86 0.28 -3.36 115.15 119.41 1a5j h HIS 36 Ca -0.16 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.47 1a5j h HIS 36 Cb 1.23 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 29.29 1a5j h HIS 36 CO 0.01 0.00 -0.74 1.28 0.86 0.00 0.00 177.93 179.33 1a5j n LEU 37 N -2.44 2.77 -1.98 2.43 4.77 -1.18 -4.92 117.00 116.46 1a5j n LEU 37 Ca 0.04 -5.24 -0.15 0.00 -0.03 0.00 0.00 56.01 50.62 1a5j n LEU 37 Cb 0.47 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1a5j n LEU 37 CO 0.34 2.08 1.33 2.29 -1.33 0.00 0.00 177.39 182.10 1a5j n LYS 38 N 0.95 1.83 0.04 3.23 -0.00 -1.26 -4.15 118.16 118.80 1a5j n LYS 38 Ca 0.27 -1.35 -0.11 0.00 -0.00 0.00 0.00 58.31 57.12 1a5j n LYS 38 Cb 0.45 -1.69 -0.13 0.00 -0.00 0.00 0.00 35.03 33.65 1a5j n LYS 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1a5j h GLY 39 N 3.39 0.11 -5.00 2.58 0.00 -1.93 -3.44 103.07 98.78 1a5j h GLY 39 Ca 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1a5j h GLY 39 CO 0.55 0.25 -0.24 -2.13 0.00 0.00 0.00 176.54 174.97 1a5j n ARG 40 N -3.31 0.27 -2.26 4.80 0.63 -1.26 -4.85 116.66 110.69 1a5j n ARG 40 Ca -0.11 -1.18 0.00 0.00 -0.92 0.00 0.00 57.85 55.64 1a5j n ARG 40 Cb 1.01 -0.46 0.00 0.00 0.45 0.00 0.00 32.46 33.46 1a5j n ARG 40 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1a5j n LEU 41 N 2.48 -3.13 -1.67 6.15 7.99 -1.26 -4.65 117.00 122.91 1a5j n LEU 41 Ca 0.12 0.58 -0.06 0.00 -0.01 0.00 0.00 56.01 56.65 1a5j n LEU 41 Cb 0.63 -1.11 -0.01 0.00 -0.11 0.00 0.00 43.42 42.82 1a5j n LEU 41 CO -0.08 -1.76 1.14 0.61 -1.51 0.00 0.00 177.39 175.79 1a5j n GLY 42 N 1.84 2.94 0.25 -0.72 0.00 -1.26 -4.26 105.19 103.98 1a5j n GLY 42 Ca 0.00 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1a5j n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5j h LYS 43 N 1.40 0.00 -5.12 1.61 6.56 -1.92 -3.31 116.57 115.79 1a5j h LYS 43 Ca 0.09 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.47 1a5j h LYS 43 Cb 1.03 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.71 1a5j h LYS 43 CO 0.21 0.14 0.62 1.04 -2.06 0.00 0.00 179.45 179.40 1a5j n GLN 44 N -3.42 0.54 -1.87 3.15 6.02 -1.26 -4.88 117.38 115.65 1a5j n GLN 44 Ca -0.01 -1.80 -0.30 0.00 -0.01 0.00 0.00 57.00 54.89 1a5j n GLN 44 Cb 0.31 -3.61 0.07 0.00 1.02 0.00 0.00 30.24 28.03 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a5j n ARG 46 N -3.17 -0.21 -3.64 0.00 1.74 -1.26 -4.99 116.66 105.12 1a5j n ARG 46 Ca 0.07 0.62 -0.08 0.00 -0.77 0.00 0.00 57.85 57.69 1a5j n ARG 46 Cb 0.59 -0.79 -0.07 0.00 -1.02 0.00 0.00 32.46 31.17 1a5j n ARG 46 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1a5j s GLU 47 N -0.80 0.65 -1.45 5.56 2.12 -1.26 -4.71 118.70 118.82 1a5j s GLU 47 Ca 0.00 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.32 1a5j s GLU 47 Cb 0.00 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.59 1a5j s GLU 47 CO 0.00 -0.11 0.00 0.54 -0.54 0.00 0.00 175.26 175.15 1a5j n ARG 48 N 3.55 -1.03 0.00 4.30 5.12 -1.26 -4.66 116.66 122.68 1a5j n ARG 48 Ca -0.17 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 1a5j n ARG 48 Cb 0.57 -5.08 0.00 0.00 -1.16 0.00 0.00 32.46 26.79 1a5j n ARG 48 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 1a5j n TRP 49 N -2.56 -0.03 0.00 -1.55 -0.00 -1.26 -4.87 117.44 107.17 1a5j n TRP 49 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.36 1a5j n TRP 49 Cb 0.47 0.41 0.00 0.00 -0.00 0.00 0.00 31.31 32.19 1a5j n TRP 49 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1a5j n HIS 50 N -2.33 0.00 -0.29 5.87 8.25 -1.26 -4.35 115.22 121.12 1a5j n HIS 50 Ca 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.72 1a5j n HIS 50 Cb 0.00 0.00 0.46 0.00 1.12 0.00 0.00 29.99 31.57 1a5j n HIS 50 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a5j n ASN 51 N -0.23 0.21 0.00 0.41 5.03 -1.26 -0.57 115.26 118.85 1a5j n ASN 51 Ca 0.00 1.12 0.00 0.00 0.87 0.00 0.00 54.58 56.57 1a5j n ASN 51 Cb 0.00 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.21 1a5j n ASN 51 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1a5j n HIS 52 N -4.43 0.00 0.00 3.10 -0.00 -1.26 -4.96 115.22 107.67 1a5j n HIS 52 Ca 0.29 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.47 1a5j n HIS 52 Cb 1.04 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 30.69 1a5j n HIS 52 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1a5j n LEU 53 N -1.76 0.00 -3.66 0.27 4.77 0.27 -5.03 117.00 111.85 1a5j n LEU 53 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1a5j n LEU 53 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1a5j n LEU 53 CO 0.00 0.00 -0.07 -3.20 -1.33 0.00 0.00 177.39 172.79 1a5j n ASN 54 N 0.00 -5.47 -3.25 -1.43 2.85 -1.26 -4.87 115.26 101.82 1a5j n ASN 54 Ca 0.00 -0.87 0.00 0.00 -0.11 0.00 0.00 54.58 53.60 1a5j n ASN 54 Cb 0.00 -2.94 0.00 0.00 1.24 0.00 0.00 39.78 38.08 1a5j n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1a5j n PRO 55 N -3.37 1.46 -2.94 1.20 -0.04 -1.26 -5.04 135.00 125.01 1a5j n PRO 55 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1a5j n PRO 55 Cb 0.60 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.07 1a5j n PRO 55 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1a5j n GLU 56 N 0.00 1.05 -0.02 0.54 2.13 -1.26 -4.85 120.64 118.23 1a5j n GLU 56 Ca 0.00 -3.17 0.11 0.00 0.66 0.00 0.00 57.16 54.76 1a5j n GLU 56 Cb 0.00 -1.42 0.10 0.00 0.27 0.00 0.00 31.44 30.39 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1a5j n VAL 57 N 0.12 0.05 -2.52 6.31 0.31 -1.26 -5.08 118.33 116.26 1a5j n VAL 57 Ca 0.17 -0.53 0.08 0.00 -0.01 0.00 0.00 64.34 64.05 1a5j n VAL 57 Cb 0.73 1.40 -0.02 0.00 -0.91 0.00 0.00 33.84 35.04 1a5j n VAL 57 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1a5j n LYS 58 N 1.22 -1.16 -2.47 5.55 4.81 -1.26 -4.66 118.16 120.19 1a5j n LYS 58 Ca 0.13 0.76 -0.42 0.00 -0.87 0.00 0.00 58.31 57.91 1a5j n LYS 58 Cb 0.54 -1.41 -0.03 0.00 0.02 0.00 0.00 35.03 34.15 1a5j n LYS 58 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1a5j s LYS 59 N -1.07 4.33 0.00 1.64 2.47 -1.26 -4.70 119.74 121.16 1a5j s LYS 59 Ca 0.00 1.65 0.00 0.00 -1.56 0.00 0.00 55.97 56.06 1a5j s LYS 59 Cb 0.00 -3.59 0.00 0.00 -1.46 0.00 0.00 37.83 32.78 1a5j s LYS 59 CO 0.00 -0.48 0.00 -1.13 0.16 0.00 0.00 175.35 173.90 1a5j n SER 60 N 5.43 0.00 0.00 1.43 3.41 -1.26 -5.00 113.62 117.63 1a5j n SER 60 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1a5j n SER 60 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1a5j n SER 60 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a5j n SER 61 N 0.00 0.00 -2.07 4.04 2.88 -1.26 -5.17 113.62 112.04 1a5j n SER 61 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a5j n SER 61 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1a5j n SER 61 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1a5j n TRP 62 N 0.00 -2.40 -2.95 0.66 7.02 -1.26 -5.10 117.44 113.41 1a5j n TRP 62 Ca 0.00 -0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 1a5j n TRP 62 Cb 0.00 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 1a5j n TRP 62 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1a5j n THR 63 N -0.83 0.00 0.00 -0.99 -2.24 -1.26 -5.05 114.28 103.90 1a5j n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a5j n THR 63 Cb 0.01 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1a5j n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a5j n GLU 64 N 0.00 0.00 -0.44 -0.78 1.02 -1.26 -2.98 120.64 116.20 1a5j n GLU 64 Ca 0.00 0.15 0.37 0.00 -0.02 0.00 0.00 57.16 57.66 1a5j n GLU 64 Cb 0.00 -0.66 0.69 0.00 -0.02 0.00 0.00 31.44 31.45 1a5j n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1a5j h GLU 65 N 0.00 0.10 -0.37 3.49 5.08 -1.99 1.94 114.58 122.82 1a5j h GLU 65 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1a5j h GLU 65 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1a5j h GLU 65 CO 0.00 0.07 0.03 0.93 -1.00 0.00 0.00 179.01 179.03 1a5j h GLU 66 N 0.10 0.57 0.28 2.33 5.08 -1.98 0.47 114.58 121.43 1a5j h GLU 66 Ca 0.73 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.95 1a5j h GLU 66 Cb 2.51 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.68 1a5j h GLU 66 CO -0.20 0.58 -0.13 0.22 -1.00 0.00 0.00 179.01 178.48 1a5j h ASP 67 N 0.55 -0.32 0.77 1.42 1.82 0.32 -2.49 116.42 118.49 1a5j h ASP 67 Ca 0.12 -0.22 -0.04 0.00 -0.39 0.00 0.00 57.03 56.51 1a5j h ASP 67 Cb 0.31 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1a5j h ASP 67 CO 0.01 0.13 -0.41 0.03 -1.61 0.00 0.00 179.24 177.39 1a5j h ARG 68 N -0.87 -1.04 0.00 0.28 3.08 -1.27 0.35 114.38 114.92 1a5j h ARG 68 Ca -0.04 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1a5j h ARG 68 Cb 0.51 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1a5j h ARG 68 CO 0.06 -0.69 0.00 -0.89 -1.07 0.00 0.00 179.97 177.38 1a5j n ILE 69 N -5.02 0.00 -0.21 2.04 5.41 0.16 0.87 119.36 122.61 1a5j n ILE 69 Ca -0.13 1.33 -0.04 0.00 1.00 0.00 0.00 62.75 64.91 1a5j n ILE 69 Cb 0.44 -1.83 0.02 0.00 -0.71 0.00 0.00 39.64 37.56 1a5j n ILE 69 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1a5j h ILE 70 N 0.00 0.20 0.00 1.39 2.04 -1.49 2.32 117.51 121.97 1a5j h ILE 70 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1a5j h ILE 70 Cb 0.00 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1a5j h ILE 70 CO 0.00 0.00 0.20 0.33 0.00 0.00 0.00 178.15 178.68 1a5j n PHE 71 N -5.44 0.51 -0.10 1.37 -0.00 0.12 -1.30 117.46 112.62 1a5j n PHE 71 Ca 0.05 0.27 -0.17 0.00 -0.00 0.00 0.00 57.45 57.59 1a5j n PHE 71 Cb 0.36 -0.79 -0.09 0.00 -0.00 0.00 0.00 39.48 38.97 1a5j n PHE 71 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1a5j n GLU 72 N -2.08 0.48 -0.34 -4.13 2.13 0.67 -4.48 120.64 112.89 1a5j n GLU 72 Ca -0.01 0.15 0.14 0.00 0.66 0.00 0.00 57.16 58.09 1a5j n GLU 72 Cb 0.23 -1.34 0.33 0.00 0.27 0.00 0.00 31.44 30.92 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a5j h ALA 73 N -0.30 1.62 0.00 4.31 0.00 0.32 2.06 119.26 127.27 1a5j h ALA 73 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1a5j h ALA 73 Cb 1.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1a5j h ALA 73 CO -0.17 -0.17 0.00 1.58 0.00 0.00 0.00 179.25 180.49 1a5j n HIS 74 N -4.86 0.51 -0.66 0.00 -0.00 -0.53 0.54 115.22 110.21 1a5j n HIS 74 Ca 0.23 0.25 0.08 0.00 -0.00 0.00 0.00 57.72 58.29 1a5j n HIS 74 Cb 0.62 -0.90 0.32 0.00 -0.00 0.00 0.00 29.99 30.03 1a5j n HIS 74 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1a5j n LYS 75 N -2.01 3.60 0.00 1.57 2.85 0.70 -3.70 118.16 121.17 1a5j n LYS 75 Ca -0.00 -2.80 0.00 0.00 -1.05 0.00 0.00 58.31 54.46 1a5j n LYS 75 Cb 0.06 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 1a5j n LYS 75 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1a5j n VAL 76 N 0.67 0.00 0.00 0.58 0.31 0.19 -4.99 118.33 115.09 1a5j n VAL 76 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1a5j n VAL 76 Cb 0.86 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1a5j n VAL 76 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1a5j n LEU 77 N -2.44 0.00 0.00 7.52 4.32 -0.72 -5.12 117.00 120.55 1a5j n LEU 77 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1a5j n LEU 77 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1a5j n LEU 77 CO 0.00 -0.30 0.00 0.61 -1.22 0.00 0.00 177.39 176.48 1a5j n GLY 78 N 3.62 -0.49 1.31 -0.72 0.00 -1.24 -4.89 105.19 102.79 1a5j n GLY 78 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 1a5j n GLY 78 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a5j n ASN 79 N 0.00 3.24 -2.84 1.61 0.23 -1.26 -4.46 115.26 111.79 1a5j n ASN 79 Ca 0.00 -2.55 -0.18 0.00 -0.53 0.00 0.00 54.58 51.32 1a5j n ASN 79 Cb 0.00 -0.61 -0.05 0.00 -2.08 0.00 0.00 39.78 37.04 1a5j n ASN 79 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1a5j n ARG 80 N 0.07 1.90 -0.27 -3.83 3.00 -1.26 -4.50 116.66 111.76 1a5j n ARG 80 Ca 0.19 -1.21 0.17 0.00 -0.01 0.00 0.00 57.85 56.98 1a5j n ARG 80 Cb 0.83 -2.25 0.45 0.00 0.00 0.00 0.00 32.46 31.49 1a5j n ARG 80 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.63 176.14 1a5j h TRP 81 N 5.45 0.71 -0.16 -1.55 4.06 -1.91 1.58 115.95 124.12 1a5j h TRP 81 Ca 0.39 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.41 1a5j h TRP 81 Cb 0.44 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1a5j h TRP 81 CO 1.79 0.19 0.14 0.00 -3.56 0.00 0.00 178.44 177.00 1a5j h ALA 82 N 1.61 1.92 0.01 1.49 0.00 -1.90 -0.59 119.26 121.81 1a5j h ALA 82 Ca 0.49 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 55.03 1a5j h ALA 82 Cb 1.04 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1a5j h ALA 82 CO -0.23 -0.23 -2.29 0.39 0.00 0.00 0.00 179.25 176.89 1a5j n GLU 83 N -4.09 0.68 -0.01 0.00 -0.58 0.46 -3.62 120.64 113.49 1a5j n GLU 83 Ca 0.01 0.12 -0.09 0.00 -0.42 0.00 0.00 57.16 56.78 1a5j n GLU 83 Cb 0.27 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 1a5j n GLU 83 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1a5j h ILE 84 N 0.01 0.55 -0.09 -3.67 1.08 0.16 0.29 117.51 115.83 1a5j h ILE 84 Ca -0.51 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1a5j h ILE 84 Cb 2.07 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1a5j h ILE 84 CO -0.00 0.00 0.04 0.00 -0.69 0.00 0.00 178.15 177.50 1a5j h ALA 85 N 0.84 0.12 -0.84 1.87 0.00 -1.35 -1.40 119.26 118.50 1a5j h ALA 85 Ca 0.10 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.17 1a5j h ALA 85 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1a5j h ALA 85 CO -0.27 -0.31 0.73 0.87 0.00 0.00 0.00 179.25 180.28 1a5j h LYS 86 N 0.01 0.00 0.07 0.00 1.57 -1.46 1.51 116.57 118.27 1a5j h LYS 86 Ca 0.03 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.55 1a5j h LYS 86 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.46 1a5j h LYS 86 CO -0.00 0.00 -1.11 -0.07 -0.57 0.00 0.00 179.45 177.70 1a5j h LEU 87 N 0.00 0.55 -8.02 2.94 3.38 0.12 -3.41 115.31 110.88 1a5j h LEU 87 Ca 0.40 -0.51 -0.68 0.00 0.09 0.00 0.00 57.88 57.17 1a5j h LEU 87 Cb 1.86 -0.17 -0.33 0.00 0.09 0.00 0.00 40.66 42.11 1a5j h LEU 87 CO -0.00 1.34 -0.68 -0.76 0.09 0.00 0.00 178.44 178.43 1a5j s LEU 88 N -7.54 4.10 -0.21 1.67 1.43 0.52 -5.07 118.68 113.57 1a5j s LEU 88 Ca -0.06 -1.36 -0.29 0.00 -1.03 0.00 0.00 54.13 51.39 1a5j s LEU 88 Cb 0.08 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1a5j s LEU 88 CO 0.89 -0.30 1.30 -2.16 0.23 0.00 0.00 176.35 176.31 1a5j s PRO 89 N 1.25 4.11 0.00 1.29 0.04 -1.24 -3.55 135.00 136.90 1a5j s PRO 89 Ca -0.03 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1a5j s PRO 89 Cb -0.20 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1a5j s PRO 89 CO -0.01 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1a5j n GLY 90 N 3.88 2.75 3.44 0.56 0.00 -1.26 -5.12 105.19 109.44 1a5j n GLY 90 Ca 0.14 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1a5j n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5j s ARG 91 N 0.00 1.59 0.13 1.61 1.81 -1.23 -5.15 118.95 117.71 1a5j s ARG 91 Ca 0.00 -1.64 0.02 0.00 -1.72 0.00 0.00 55.73 52.39 1a5j s ARG 91 Cb 0.00 -1.80 0.02 0.00 -0.45 0.00 0.00 34.95 32.72 1a5j s ARG 91 CO 0.00 0.36 0.15 0.25 -0.68 0.00 0.00 175.30 175.39 1a5j n THR 92 N -0.16 0.00 0.18 0.02 -2.24 -1.26 -4.62 114.28 106.19 1a5j n THR 92 Ca -0.09 -0.48 -0.07 0.00 -2.27 0.00 0.00 64.05 61.14 1a5j n THR 92 Cb 0.58 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1a5j n THR 92 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1a5j h ASP 93 N 0.07 -0.39 -1.80 3.42 2.03 -1.91 -1.43 116.42 116.42 1a5j h ASP 93 Ca -0.07 0.01 0.52 0.00 -0.73 0.00 0.00 57.03 56.76 1a5j h ASP 93 Cb 0.30 0.10 -0.07 0.00 -0.83 0.00 0.00 39.33 38.83 1a5j h ASP 93 CO 0.11 -0.22 1.31 -0.55 -1.03 0.00 0.00 179.24 178.86 1a5j h ASN 94 N -0.58 0.00 0.31 4.15 7.08 -1.97 0.89 115.58 125.46 1a5j h ASN 94 Ca -0.05 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.16 1a5j h ASN 94 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.60 1a5j h ASN 94 CO 0.08 0.00 -0.15 0.00 -2.08 0.00 0.00 177.43 175.28 1a5j h ALA 95 N 1.08 -0.64 0.41 4.14 0.00 -1.88 -2.12 119.26 120.25 1a5j h ALA 95 Ca 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.67 1a5j h ALA 95 Cb 3.46 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 21.40 1a5j h ALA 95 CO -0.01 -0.61 -0.34 0.28 0.00 0.00 0.00 179.25 178.57 1a5j h VAL 96 N -0.70 0.30 -0.98 0.00 2.07 0.78 0.40 116.25 118.12 1a5j h VAL 96 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1a5j h VAL 96 Cb 0.32 0.30 -0.13 0.00 -1.52 0.00 0.00 31.29 30.27 1a5j h VAL 96 CO 0.07 0.00 -0.52 1.17 0.02 0.00 0.00 177.57 178.31 1a5j n LYS 97 N -5.46 -0.37 -0.35 1.57 4.81 0.27 0.17 118.16 118.80 1a5j n LYS 97 Ca -0.10 1.49 -0.02 0.00 -0.87 0.00 0.00 58.31 58.80 1a5j n LYS 97 Cb 0.36 -2.20 0.11 0.00 0.02 0.00 0.00 35.03 33.32 1a5j n LYS 97 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1a5j h ASN 98 N 0.00 1.13 0.00 3.14 -0.73 -1.05 0.79 115.58 118.86 1a5j h ASN 98 Ca 0.21 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.33 1a5j h ASN 98 Cb 0.46 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1a5j h ASN 98 CO -0.94 0.85 0.22 -0.74 -0.37 0.00 0.00 177.43 176.45 1a5j h HIS 99 N 1.31 0.00 -0.01 0.67 2.76 0.62 1.55 115.15 122.05 1a5j h HIS 99 Ca 0.35 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 1a5j h HIS 99 Cb -0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.87 1a5j h HIS 99 CO 0.00 0.00 -0.04 2.35 -1.30 0.00 0.00 177.93 178.94 1a5j h TRP 100 N 0.00 0.06 -0.01 5.26 -0.00 0.15 -1.31 115.95 120.10 1a5j h TRP 100 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 1a5j h TRP 100 Cb 0.43 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 29.58 1a5j h TRP 100 CO 0.00 0.69 -0.22 0.09 -0.00 0.00 0.00 178.44 179.00 1a5j n ASN 101 N -4.73 0.74 0.00 2.65 3.02 0.77 -1.00 115.26 116.72 1a5j n ASN 101 Ca -0.09 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1a5j n ASN 101 Cb 0.35 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1a5j n ASN 101 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1a5j n SER 102 N -0.87 0.00 0.00 6.41 7.64 0.50 -4.77 113.62 122.52 1a5j n SER 102 Ca 0.12 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1a5j n SER 102 Cb 0.32 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1a5j n SER 102 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1a5j n THR 103 N -0.60 0.00 -0.27 0.44 -1.04 -1.16 -4.72 114.28 106.93 1a5j n THR 103 Ca 0.00 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 61.64 1a5j n THR 103 Cb 0.00 0.95 0.09 0.00 -1.82 0.00 0.00 70.33 69.55 1a5j n THR 103 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1a5j n ILE 104 N -0.52 2.25 -2.21 12.58 2.08 -0.51 -3.99 119.36 129.04 1a5j n ILE 104 Ca 0.00 -1.11 -0.18 0.00 0.56 0.00 0.00 62.75 62.02 1a5j n ILE 104 Cb 0.00 -0.80 0.03 0.00 -0.75 0.00 0.00 39.64 38.12 1a5j n ILE 104 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1a5j n LYS 105 N -0.29 3.18 0.28 0.38 -0.00 -0.17 -4.70 118.16 116.84 1a5j n LYS 105 Ca 0.32 -4.02 -0.11 0.00 -0.00 0.00 0.00 58.31 54.50 1a5j n LYS 105 Cb 1.05 -2.12 -0.05 0.00 -0.00 0.00 0.00 35.03 33.91 1a5j n LYS 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a5j h ARG 106 N 2.28 -0.71 -5.96 -1.58 2.47 -1.86 -3.39 114.38 105.62 1a5j h ARG 106 Ca 0.25 0.05 -0.47 0.00 -1.26 0.00 0.00 59.98 58.55 1a5j h ARG 106 Cb 1.48 0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.92 1a5j h ARG 106 CO 0.62 -0.48 1.22 0.21 0.56 0.00 0.00 179.97 182.11 1a5j s LYS 107 N -4.09 2.68 0.22 0.04 2.47 -1.26 -4.08 119.74 115.72 1a5j s LYS 107 Ca -0.11 0.34 0.00 0.00 -1.56 0.00 0.00 55.97 54.65 1a5j s LYS 107 Cb 0.01 -4.51 0.00 0.00 -1.46 0.00 0.00 37.83 31.87 1a5j s LYS 107 CO 0.32 -2.79 0.00 0.28 0.16 0.00 0.00 175.35 173.32 1a5j n VAL 108 N 7.26 0.00 -2.98 4.02 0.31 -1.26 -5.05 118.33 120.63 1a5j n VAL 108 Ca 0.23 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.45 1a5j n VAL 108 Cb 0.51 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 1a5j n VAL 108 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a5j s ASP 109 N -2.00 -0.54 0.00 4.52 -1.08 -1.26 -5.27 116.67 111.04 1a5j s ASP 109 Ca 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 52.55 49.95 1a5j s ASP 109 Cb 0.00 1.18 0.00 0.00 -1.46 0.00 0.00 42.92 42.64 1a5j s ASP 109 CO 0.00 -0.10 0.00 0.41 0.52 0.00 0.00 175.17 176.00