#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 1.49 -2.00 -0.61 -5.25 -1.26 -5.00 121.20 108.57 1a5j s ILE 2 Ca 0.00 -1.03 0.20 0.00 -0.99 0.00 0.00 60.65 58.83 1a5j s ILE 2 Cb 0.00 -1.29 0.57 0.00 2.95 0.00 0.00 42.46 44.69 1a5j s ILE 2 CO 0.00 0.23 1.63 -0.81 -1.79 0.00 0.00 174.94 174.20 1a5j n PRO 3 N 2.10 0.75 -2.68 0.37 -0.04 -1.26 -3.87 135.00 130.36 1a5j n PRO 3 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 1a5j n PRO 3 Cb 0.54 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.92 6.62 -2.70 3.54 -0.08 -1.26 -4.86 116.55 116.90 1a5j n ASP 4 Ca 0.15 -3.41 -0.02 0.00 -1.51 0.00 0.00 54.79 50.01 1a5j n ASP 4 Cb 0.07 -1.29 -0.02 0.00 2.34 0.00 0.00 41.12 42.22 1a5j n ASP 4 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1a5j n LEU 5 N 1.44 -4.74 0.00 -2.67 4.32 -1.26 -5.01 117.00 109.08 1a5j n LEU 5 Ca 0.38 1.64 0.00 0.00 -0.02 0.00 0.00 56.01 58.00 1a5j n LEU 5 Cb 0.31 -2.31 0.00 0.00 -1.62 0.00 0.00 43.42 39.80 1a5j n LEU 5 CO 0.69 -3.08 0.00 0.52 -1.22 0.00 0.00 177.39 174.29 1a5j n VAL 6 N 2.12 0.00 -1.15 4.08 0.31 -1.25 -4.72 118.33 117.73 1a5j n VAL 6 Ca -0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.05 1a5j n VAL 6 Cb 0.22 0.00 0.25 0.00 -0.91 0.00 0.00 33.84 33.40 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 3.00 -0.07 5.55 4.01 -1.26 -4.83 118.16 124.56 1a5j n LYS 7 Ca 0.00 -3.06 0.00 0.00 -0.51 0.00 0.00 58.31 54.74 1a5j n LYS 7 Cb 0.00 -2.18 0.00 0.00 -0.51 0.00 0.00 35.03 32.34 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 -0.63 0.84 3.75 0.72 0.00 -1.26 -4.77 105.19 103.84 1a5j n GLY 8 Ca 0.48 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.04 4.64 0.00 1.61 0.04 -1.26 -4.64 135.00 133.34 1a5j s PRO 9 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1a5j s PRO 9 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1a5j s PRO 9 CO 0.00 0.19 0.00 0.91 0.04 0.00 0.00 177.00 178.14 1a5j n TRP 10 N 1.54 0.00 -0.78 0.56 7.02 -1.26 -4.40 117.44 120.13 1a5j n TRP 10 Ca -0.00 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.55 1a5j n TRP 10 Cb 0.45 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.30 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 -0.56 -0.72 -0.24 -0.99 -2.24 -1.26 -2.56 114.28 105.71 1a5j n THR 11 Ca 0.00 0.56 0.22 0.00 -2.27 0.00 0.00 64.05 62.56 1a5j n THR 11 Cb 0.00 -0.87 0.39 0.00 -2.10 0.00 0.00 70.33 67.75 1a5j n THR 11 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a5j n LYS 12 N -3.00 -0.03 0.04 -0.78 4.81 -1.26 0.59 118.16 118.53 1a5j n LYS 12 Ca -0.04 0.84 0.20 0.00 -0.87 0.00 0.00 58.31 58.44 1a5j n LYS 12 Cb 0.34 -1.56 0.72 0.00 0.02 0.00 0.00 35.03 34.55 1a5j n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1a5j h GLU 13 N 0.00 0.00 -0.27 1.64 4.81 -1.98 0.11 114.58 118.89 1a5j h GLU 13 Ca 0.54 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.70 1a5j h GLU 13 Cb 1.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 1a5j h GLU 13 CO -0.42 0.00 -0.09 1.05 -0.73 0.00 0.00 179.01 178.82 1a5j h GLU 14 N 0.00 0.54 0.21 1.92 9.09 1.69 -1.74 114.58 126.29 1a5j h GLU 14 Ca 0.22 -0.22 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1a5j h GLU 14 Cb 0.96 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.04 1a5j h GLU 14 CO -0.00 0.77 -0.10 -0.44 0.05 0.00 0.00 179.01 179.28 1a5j h ASP 15 N 0.28 -0.24 -0.66 3.06 3.32 -0.93 -2.72 116.42 118.54 1a5j h ASP 15 Ca 0.06 0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.31 1a5j h ASP 15 Cb 0.58 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1a5j h ASP 15 CO 0.03 -0.06 0.95 0.06 -1.72 0.00 0.00 179.24 178.50 1a5j h GLN 16 N -0.51 0.00 0.00 3.56 3.07 -1.01 0.68 115.11 120.90 1a5j h GLN 16 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1a5j h GLN 16 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.78 1a5j h GLN 16 CO 0.05 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.60 1a5j n LYS 17 N -3.20 0.00 0.13 0.06 5.02 -0.65 0.20 118.16 119.72 1a5j n LYS 17 Ca 0.14 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.61 1a5j n LYS 17 Cb 1.16 -0.61 0.61 0.00 -0.02 0.00 0.00 35.03 36.17 1a5j n LYS 17 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a5j h VAL 18 N 0.00 0.14 0.00 -0.18 2.07 -1.07 1.42 116.25 118.63 1a5j h VAL 18 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1a5j h VAL 18 Cb 0.00 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1a5j h VAL 18 CO 0.00 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.21 1a5j n ILE 19 N -3.22 0.00 0.13 4.57 -0.00 0.23 -1.33 119.36 119.75 1a5j n ILE 19 Ca 0.07 0.33 0.07 0.00 -0.00 0.00 0.00 62.75 63.22 1a5j n ILE 19 Cb 0.78 -0.76 0.39 0.00 -0.00 0.00 0.00 39.64 40.05 1a5j n ILE 19 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1a5j n GLU 20 N -0.99 0.09 0.00 0.38 -0.58 0.13 -0.98 120.64 118.70 1a5j n GLU 20 Ca 0.00 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1a5j n GLU 20 Cb 0.00 -1.94 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 1a5j n GLU 20 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1a5j n LEU 21 N -2.01 2.02 -0.29 -4.62 4.77 0.48 -2.44 117.00 114.92 1a5j n LEU 21 Ca -0.01 0.06 0.33 0.00 -0.03 0.00 0.00 56.01 56.36 1a5j n LEU 21 Cb 0.16 -0.08 0.58 0.00 -2.33 0.00 0.00 43.42 41.76 1a5j n LEU 21 CO 0.06 -0.08 1.31 0.58 -1.33 0.00 0.00 177.39 177.93 1a5j h VAL 22 N 0.00 0.07 0.18 4.08 2.07 -1.06 1.87 116.25 123.46 1a5j h VAL 22 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1a5j h VAL 22 Cb 0.00 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1a5j h VAL 22 CO 0.00 0.00 -0.09 0.11 0.02 0.00 0.00 177.57 177.61 1a5j h LYS 23 N 0.00 -0.23 0.00 1.57 1.79 -1.20 2.06 116.57 120.56 1a5j h LYS 23 Ca 0.56 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 1a5j h LYS 23 Cb 2.85 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 33.55 1a5j h LYS 23 CO -0.01 0.18 0.00 1.17 -1.08 0.00 0.00 179.45 179.72 1a5j n LYS 24 N -4.96 0.07 -0.08 3.15 4.81 0.40 -3.79 118.16 117.77 1a5j n LYS 24 Ca -0.08 0.17 -0.08 0.00 -0.87 0.00 0.00 58.31 57.45 1a5j n LYS 24 Cb 0.26 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 1a5j n LYS 24 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1a5j n TYR 25 N -1.73 0.34 -2.05 5.64 4.02 0.54 -5.06 117.16 118.86 1a5j n TYR 25 Ca 0.05 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 1a5j n TYR 25 Cb 0.29 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 39.01 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 1.51 0.00 0.16 2.72 0.00 0.70 -4.85 105.19 105.44 1a5j n GLY 26 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1a5j n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a5j n THR 27 N 1.99 0.00 0.00 2.61 5.66 -1.26 -5.02 114.28 118.26 1a5j n THR 27 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1a5j n THR 27 Cb 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1a5j n THR 27 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1a5j n LYS 28 N -1.43 0.00 -3.22 1.09 0.00 -1.26 -5.08 118.16 108.26 1a5j n LYS 28 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.91 1a5j n LYS 28 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1a5j n LYS 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1a5j n GLN 29 N 0.00 3.75 0.25 1.64 6.02 -1.26 -4.77 117.38 123.01 1a5j n GLN 29 Ca 0.00 -4.55 0.16 0.00 -0.01 0.00 0.00 57.00 52.60 1a5j n GLN 29 Cb 0.00 -2.46 0.65 0.00 1.02 0.00 0.00 30.24 29.44 1a5j n GLN 29 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1a5j h TRP 30 N 5.54 0.00 0.00 1.08 4.06 -2.01 -2.17 115.95 122.44 1a5j h TRP 30 Ca 0.19 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.08 1a5j h TRP 30 Cb 0.70 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 1a5j h TRP 30 CO 0.88 0.00 -0.28 1.15 -3.56 0.00 0.00 178.44 176.63 1a5j h THR 31 N 0.00 1.13 0.00 1.49 2.02 -2.00 -0.98 112.91 114.57 1a5j h THR 31 Ca 0.00 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1a5j h THR 31 Cb 0.48 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1a5j h THR 31 CO 0.00 0.27 -0.03 0.25 0.37 0.00 0.00 175.52 176.39 1a5j h LEU 32 N 0.00 0.00 0.08 2.58 7.12 -1.80 0.75 115.31 124.05 1a5j h LEU 32 Ca -0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 1a5j h LEU 32 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1a5j h LEU 32 CO 0.04 0.03 -0.04 0.40 -0.13 0.00 0.00 178.44 178.73 1a5j h ILE 33 N 0.00 0.29 -0.14 4.05 5.03 -1.30 -2.32 117.51 123.11 1a5j h ILE 33 Ca -0.00 -1.11 -0.07 0.00 -0.12 0.00 0.00 64.86 63.56 1a5j h ILE 33 Cb 0.44 0.53 -0.01 0.00 -3.03 0.00 0.00 36.82 34.75 1a5j h ILE 33 CO 0.00 0.09 -0.25 0.00 -0.68 0.00 0.00 178.15 177.32 1a5j h ALA 34 N -0.85 1.32 -0.38 1.87 0.00 -1.42 -1.56 119.26 118.24 1a5j h ALA 34 Ca -0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1a5j h ALA 34 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1a5j h ALA 34 CO 0.02 0.46 -0.03 -0.22 0.00 0.00 0.00 179.25 179.48 1a5j h LYS 35 N 0.23 0.62 -0.85 0.00 3.64 0.44 -1.85 116.57 118.81 1a5j h LYS 35 Ca 0.04 -0.16 -0.42 0.00 -1.27 0.00 0.00 60.65 58.85 1a5j h LYS 35 Cb 0.57 -0.08 -0.25 0.00 -0.41 0.00 0.00 32.23 32.06 1a5j h LYS 35 CO 0.04 0.66 0.47 0.72 -2.27 0.00 0.00 179.45 179.08 1a5j n HIS 36 N -4.23 2.63 -3.69 1.91 8.25 -0.78 -4.86 115.22 114.45 1a5j n HIS 36 Ca 0.02 -1.71 -0.11 0.00 -0.26 0.00 0.00 57.72 55.66 1a5j n HIS 36 Cb 0.29 -0.83 -0.10 0.00 1.12 0.00 0.00 29.99 30.47 1a5j n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a5j s LEU 37 N -3.25 -0.12 0.00 2.41 1.43 -0.66 -4.82 118.68 113.68 1a5j s LEU 37 Ca 0.55 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 1a5j s LEU 37 Cb 0.46 1.59 0.00 0.00 0.03 0.00 0.00 46.19 48.27 1a5j s LEU 37 CO 0.09 -0.19 0.00 0.29 0.23 0.00 0.00 176.35 176.77 1a5j n LYS 38 N 3.78 0.00 0.19 1.70 4.01 -1.26 -2.95 118.16 123.63 1a5j n LYS 38 Ca -0.20 0.00 0.16 0.00 -0.51 0.00 0.00 58.31 57.76 1a5j n LYS 38 Cb 0.56 0.00 0.60 0.00 -0.51 0.00 0.00 35.03 35.68 1a5j n LYS 38 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1a5j h GLY 39 N 0.00 0.00 0.00 0.72 0.00 -1.86 -3.40 103.07 98.53 1a5j h GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a5j h GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.41 1a5j n ARG 40 N -3.09 0.00 0.00 4.80 0.63 -1.26 -5.01 116.66 112.73 1a5j n ARG 40 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1a5j n ARG 40 Cb 0.71 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.62 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 0.00 0.00 0.00 6.15 7.99 -1.26 -4.39 117.00 125.49 1a5j n LEU 41 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1a5j n LEU 41 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1a5j n LEU 41 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1a5j n GLY 42 N 0.96 1.41 0.58 -0.72 0.00 -1.15 -3.77 105.19 102.50 1a5j n GLY 42 Ca 0.00 0.00 0.45 0.00 0.00 0.00 0.00 46.02 46.47 1a5j n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a5j n LYS 43 N -1.44 -0.01 -2.13 1.61 4.81 -1.26 -3.15 118.16 116.58 1a5j n LYS 43 Ca 0.00 1.04 -0.30 0.00 -0.87 0.00 0.00 58.31 58.18 1a5j n LYS 43 Cb 0.00 -2.28 -0.05 0.00 0.02 0.00 0.00 35.03 32.72 1a5j n LYS 43 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1a5j s GLN 44 N -4.83 2.69 0.30 1.64 -0.21 -1.26 -4.87 119.66 113.12 1a5j s GLN 44 Ca -0.05 -1.22 0.02 0.00 0.02 0.00 0.00 55.36 54.13 1a5j s GLN 44 Cb 0.26 -5.27 0.02 0.00 1.00 0.00 0.00 33.01 29.02 1a5j s GLN 44 CO 0.79 -3.73 0.19 0.00 -2.12 0.00 0.00 175.29 170.42 1a5j n ARG 46 N -1.13 -0.84 -2.65 0.00 1.74 -1.26 -4.83 116.66 107.70 1a5j n ARG 46 Ca -0.03 0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 1a5j n ARG 46 Cb 0.35 -3.06 0.03 0.00 -1.02 0.00 0.00 32.46 28.76 1a5j n ARG 46 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1a5j n GLU 47 N -4.33 1.35 0.00 5.56 2.13 -1.26 -4.26 120.64 119.82 1a5j n GLU 47 Ca -0.27 -3.36 0.00 0.00 0.66 0.00 0.00 57.16 54.19 1a5j n GLU 47 Cb 0.61 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.99 1a5j n GLU 47 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1a5j n ARG 48 N -0.10 0.00 -0.03 5.31 3.00 -1.26 -4.94 116.66 118.64 1a5j n ARG 48 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.93 1a5j n ARG 48 Cb 0.81 -0.07 -0.03 0.00 0.00 0.00 0.00 32.46 33.16 1a5j n ARG 48 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 1a5j n TRP 49 N -2.21 0.00 0.08 -0.14 2.14 -1.26 -4.32 117.44 111.73 1a5j n TRP 49 Ca 0.00 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.42 1a5j n TRP 49 Cb 0.00 -0.22 -0.08 0.00 -0.81 0.00 0.00 31.31 30.20 1a5j n TRP 49 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 1a5j h HIS 50 N 0.00 -1.35 -2.19 -2.67 2.76 -1.93 -2.72 115.15 107.05 1a5j h HIS 50 Ca -0.12 0.04 -0.72 0.00 -2.20 0.00 0.00 60.37 57.36 1a5j h HIS 50 Cb 1.22 0.58 -0.33 0.00 1.55 0.00 0.00 27.41 30.44 1a5j h HIS 50 CO 0.00 -0.54 0.40 0.09 -1.30 0.00 0.00 177.93 176.58 1a5j n ASN 51 N -5.47 6.31 -0.01 3.26 3.02 -1.26 -4.47 115.26 116.65 1a5j n ASN 51 Ca -0.07 -3.71 -0.01 0.00 -0.03 0.00 0.00 54.58 50.76 1a5j n ASN 51 Cb 0.39 -0.92 -0.01 0.00 -0.61 0.00 0.00 39.78 38.63 1a5j n ASN 51 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1a5j n HIS 52 N -0.19 0.00 -1.61 3.10 -0.00 -1.02 -4.77 115.22 110.73 1a5j n HIS 52 Ca 0.42 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.46 1a5j n HIS 52 Cb 0.32 -0.08 -0.10 0.00 -0.12 0.00 0.00 29.99 30.02 1a5j n HIS 52 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1a5j s LEU 53 N -4.69 2.56 -0.09 0.27 2.01 -1.26 -4.65 118.68 112.83 1a5j s LEU 53 Ca -0.02 -0.60 -0.27 0.00 0.01 0.00 0.00 54.13 53.25 1a5j s LEU 53 Cb 0.01 -2.58 -0.24 0.00 0.01 0.00 0.00 46.19 43.38 1a5j s LEU 53 CO 0.05 -4.40 0.95 -1.13 1.01 0.00 0.00 176.35 172.83 1a5j h ASN 54 N 11.99 0.05 0.00 2.29 -0.73 -1.97 -3.46 115.58 123.75 1a5j h ASN 54 Ca 0.01 -0.82 0.00 0.00 1.87 0.00 0.00 56.30 57.36 1a5j h ASN 54 Cb 1.00 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.57 1a5j h ASN 54 CO 1.02 0.87 0.00 -0.81 -0.37 0.00 0.00 177.43 178.14 1a5j n PRO 55 N -4.64 1.46 -3.00 6.67 -0.04 -1.26 -4.83 135.00 129.36 1a5j n PRO 55 Ca -0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.35 1a5j n PRO 55 Cb 0.43 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.74 0.25 0.54 2.13 -1.26 -4.81 120.64 115.76 1a5j n GLU 56 Ca 0.00 1.61 0.13 0.00 0.66 0.00 0.00 57.16 59.57 1a5j n GLU 56 Cb 0.00 -2.06 0.58 0.00 0.27 0.00 0.00 31.44 30.23 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1a5j h VAL 57 N 4.22 0.31 0.00 6.31 2.07 -1.79 -3.45 116.25 123.91 1a5j h VAL 57 Ca -0.09 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1a5j h VAL 57 Cb 0.52 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1a5j h VAL 57 CO 0.01 0.11 0.00 1.17 0.02 0.00 0.00 177.57 178.89 1a5j n LYS 58 N -3.27 0.00 -2.42 1.57 3.00 -1.25 -4.99 118.16 110.80 1a5j n LYS 58 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1a5j n LYS 58 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.37 1a5j n LYS 58 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1a5j s LYS 59 N -0.73 3.85 0.00 1.64 1.02 -1.26 -3.49 119.74 120.76 1a5j s LYS 59 Ca 0.00 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.15 1a5j s LYS 59 Cb 0.00 -3.91 0.00 0.00 -0.52 0.00 0.00 37.83 33.40 1a5j s LYS 59 CO 0.00 -1.21 0.00 0.45 -0.92 0.00 0.00 175.35 173.67 1a5j n SER 60 N 7.85 -1.58 0.00 2.83 2.88 -1.26 -5.05 113.62 119.29 1a5j n SER 60 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1a5j n SER 60 Cb 0.47 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1a5j n SER 60 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1a5j n SER 61 N -1.11 0.00 -4.14 -3.46 3.41 -1.23 -5.15 113.62 101.94 1a5j n SER 61 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1a5j n SER 61 Cb 0.40 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.59 1a5j n SER 61 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1a5j s TRP 62 N -3.86 0.81 0.00 7.33 0.52 -1.26 -4.92 118.94 117.56 1a5j s TRP 62 Ca 0.00 0.85 0.00 0.00 0.02 0.00 0.00 56.10 56.97 1a5j s TRP 62 Cb 0.00 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 29.19 1a5j s TRP 62 CO 0.00 -4.04 0.00 0.25 0.02 0.00 0.00 176.95 173.18 1a5j n THR 63 N -4.98 0.00 0.00 2.01 -2.24 -1.26 -3.74 114.28 104.07 1a5j n THR 63 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1a5j n THR 63 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.41 -0.78 -0.58 -1.26 -2.80 120.64 114.82 1a5j n GLU 64 Ca 0.00 0.00 0.33 0.00 -0.42 0.00 0.00 57.16 57.07 1a5j n GLU 64 Cb 0.00 -0.36 0.64 0.00 -0.57 0.00 0.00 31.44 31.15 1a5j n GLU 64 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1a5j h GLU 65 N 0.00 0.16 -0.56 3.49 4.11 -2.00 1.57 114.58 121.35 1a5j h GLU 65 Ca 0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 1a5j h GLU 65 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1a5j h GLU 65 CO 0.00 0.10 0.11 0.93 0.07 0.00 0.00 179.01 180.23 1a5j h GLU 66 N 0.16 0.87 0.14 1.06 5.08 -1.98 0.52 114.58 120.43 1a5j h GLU 66 Ca 0.72 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1a5j h GLU 66 Cb 2.28 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.41 1a5j h GLU 66 CO -0.28 0.80 -0.07 0.22 -1.00 0.00 0.00 179.01 178.68 1a5j h ASP 67 N 0.83 -0.16 0.57 1.42 1.82 0.24 -2.82 116.42 118.32 1a5j h ASP 67 Ca 0.18 -0.26 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 1a5j h ASP 67 Cb 0.34 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1a5j h ASP 67 CO 0.00 0.18 -0.48 0.03 -1.61 0.00 0.00 179.24 177.36 1a5j h ARG 68 N -0.51 -0.99 -0.83 0.28 3.08 -1.16 -2.23 114.38 112.02 1a5j h ARG 68 Ca -0.02 0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.27 1a5j h ARG 68 Cb 0.40 0.23 -0.16 0.00 0.08 0.00 0.00 29.97 30.52 1a5j h ARG 68 CO 0.03 -0.66 -0.20 -0.89 -1.07 0.00 0.00 179.97 177.18 1a5j n ILE 69 N -5.42 -0.35 0.14 2.04 5.41 0.16 0.20 119.36 121.55 1a5j n ILE 69 Ca -0.12 1.90 -0.12 0.00 1.00 0.00 0.00 62.75 65.40 1a5j n ILE 69 Cb 0.46 -2.63 -0.07 0.00 -0.71 0.00 0.00 39.64 36.68 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 0.00 0.00 1.39 1.08 -1.15 0.30 117.51 119.13 1a5j h ILE 70 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.87 1a5j h ILE 70 Cb 0.62 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1a5j h ILE 70 CO -0.85 0.00 0.00 0.33 -0.69 0.00 0.00 178.15 176.94 1a5j n PHE 71 N -4.61 0.79 0.77 1.37 -0.00 0.19 0.25 117.46 116.23 1a5j n PHE 71 Ca -0.07 0.38 0.12 0.00 -0.00 0.00 0.00 57.45 57.88 1a5j n PHE 71 Cb 0.31 -1.11 0.26 0.00 -0.00 0.00 0.00 39.48 38.94 1a5j n PHE 71 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1a5j n GLU 72 N -2.29 0.15 -0.06 -4.13 -0.00 0.55 -3.48 120.64 111.39 1a5j n GLU 72 Ca -0.01 0.05 -0.07 0.00 -0.00 0.00 0.00 57.16 57.14 1a5j n GLU 72 Cb 0.09 -1.60 -0.08 0.00 -0.00 0.00 0.00 31.44 29.85 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a5j n ALA 73 N -1.67 1.72 0.31 -1.84 0.00 0.81 -4.39 120.51 115.44 1a5j n ALA 73 Ca 0.05 -0.68 0.11 0.00 0.00 0.00 0.00 53.44 52.92 1a5j n ALA 73 Cb 0.39 0.07 0.51 0.00 0.00 0.00 0.00 19.45 20.43 1a5j n ALA 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1a5j n HIS 74 N -2.59 0.76 -0.62 0.00 -0.00 0.14 -0.53 115.22 112.38 1a5j n HIS 74 Ca -0.20 0.33 0.08 0.00 0.46 0.00 0.00 57.72 58.39 1a5j n HIS 74 Cb 0.82 -1.03 0.30 0.00 -0.12 0.00 0.00 29.99 29.96 1a5j n HIS 74 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1a5j n LYS 75 N -2.22 3.45 0.00 1.57 2.85 -1.23 -3.68 118.16 118.91 1a5j n LYS 75 Ca 0.01 -2.73 0.00 0.00 -1.05 0.00 0.00 58.31 54.54 1a5j n LYS 75 Cb 0.16 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 32.76 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 0.69 0.00 0.00 0.58 0.31 0.31 -4.98 118.33 115.23 1a5j n VAL 76 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1a5j n VAL 76 Cb 0.81 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 -2.48 0.00 0.00 7.52 4.32 -0.46 -5.12 117.00 120.78 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 0.47 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1a5j n LEU 77 CO 0.00 -0.32 0.00 0.61 -1.22 0.00 0.00 177.39 176.46 1a5j n GLY 78 N 3.21 -0.45 1.37 -0.72 0.00 -1.24 -4.88 105.19 102.48 1a5j n GLY 78 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 3.41 -2.92 1.61 0.23 -1.26 -4.46 115.26 111.87 1a5j n ASN 79 Ca 0.00 -2.61 -0.19 0.00 -0.53 0.00 0.00 54.58 51.26 1a5j n ASN 79 Cb 0.00 -0.63 -0.04 0.00 -2.08 0.00 0.00 39.78 37.03 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 -0.26 -3.83 3.00 -1.26 -4.50 116.66 111.77 1a5j n ARG 80 Ca 0.20 -1.25 0.16 0.00 -0.01 0.00 0.00 57.85 56.95 1a5j n ARG 80 Cb 0.88 -2.29 0.44 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 5.71 0.70 -0.02 -1.55 4.06 -1.91 1.71 115.95 124.65 1a5j h TRP 81 Ca 0.41 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.38 1a5j h TRP 81 Cb 0.36 -0.22 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1a5j h TRP 81 CO 1.82 0.21 0.03 0.00 -3.56 0.00 0.00 178.44 176.95 1a5j h ALA 82 N 1.61 1.28 0.00 1.49 0.00 -1.90 -0.50 119.26 121.25 1a5j h ALA 82 Ca 0.47 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.06 1a5j h ALA 82 Cb 0.97 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1a5j h ALA 82 CO -0.21 -0.04 -2.21 0.39 0.00 0.00 0.00 179.25 177.17 1a5j n GLU 83 N -3.42 1.09 -0.02 0.00 -0.58 0.51 -3.95 120.64 114.27 1a5j n GLU 83 Ca -0.03 -0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.61 1a5j n GLU 83 Cb 0.11 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.49 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 0.00 1.01 -0.30 -3.67 1.08 0.16 -1.51 117.51 114.28 1a5j h ILE 84 Ca -0.48 -0.06 -0.05 0.00 -0.39 0.00 0.00 64.86 63.88 1a5j h ILE 84 Cb 2.07 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 36.64 1a5j h ILE 84 CO 0.02 0.03 -0.03 0.00 -0.69 0.00 0.00 178.15 177.48 1a5j h ALA 85 N 1.06 1.38 -0.87 1.87 0.00 -1.33 -1.78 119.26 119.60 1a5j h ALA 85 Ca 0.05 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1a5j h ALA 85 Cb -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1a5j h ALA 85 CO -0.03 0.43 0.57 0.87 0.00 0.00 0.00 179.25 181.08 1a5j h LYS 86 N 0.45 0.89 0.00 0.00 1.79 -1.43 0.66 116.57 118.93 1a5j h LYS 86 Ca 0.10 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1a5j h LYS 86 Cb 0.35 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1a5j h LYS 86 CO 0.01 0.59 0.00 1.28 -1.08 0.00 0.00 179.45 180.25 1a5j n LEU 87 N -4.51 0.71 -4.97 2.94 4.32 -0.69 -4.77 117.00 110.03 1a5j n LEU 87 Ca 0.14 0.62 -0.21 0.00 -0.02 0.00 0.00 56.01 56.54 1a5j n LEU 87 Cb 0.26 -0.46 0.01 0.00 -1.62 0.00 0.00 43.42 41.61 1a5j n LEU 87 CO 0.32 -0.38 0.25 -0.76 -1.22 0.00 0.00 177.39 175.60 1a5j s LEU 88 N -4.45 3.63 0.00 2.23 2.01 0.23 -4.97 118.68 117.36 1a5j s LEU 88 Ca 0.07 0.08 0.17 0.00 0.01 0.00 0.00 54.13 54.47 1a5j s LEU 88 Cb 0.11 -2.98 1.03 0.00 0.01 0.00 0.00 46.19 44.35 1a5j s LEU 88 CO 0.48 -0.75 1.50 -0.81 1.01 0.00 0.00 176.35 177.78 1a5j n PRO 89 N -2.04 0.75 0.00 1.29 -0.04 -1.26 -4.78 135.00 128.92 1a5j n PRO 89 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1a5j n PRO 89 Cb 0.58 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1a5j n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5j n GLY 90 N 0.43 2.62 0.64 0.55 0.00 -1.26 -5.08 105.19 103.09 1a5j n GLY 90 Ca 0.13 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 1a5j n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5j n ARG 91 N 0.00 0.00 -0.20 1.61 5.12 -1.26 -5.15 116.66 116.78 1a5j n ARG 91 Ca 0.00 -0.51 0.03 0.00 -1.93 0.00 0.00 57.85 55.44 1a5j n ARG 91 Cb 0.00 -0.04 -0.01 0.00 -1.16 0.00 0.00 32.46 31.26 1a5j n ARG 91 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1a5j n THR 92 N 0.03 0.00 -0.10 0.55 -2.24 -1.26 -3.86 114.28 107.40 1a5j n THR 92 Ca -0.04 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 1a5j n THR 92 Cb 0.62 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 1a5j n THR 92 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1a5j n ASP 93 N -4.07 1.93 -0.55 3.42 5.75 -1.26 -3.97 116.55 117.80 1a5j n ASP 93 Ca 0.00 0.37 0.46 0.00 -0.01 0.00 0.00 54.79 55.61 1a5j n ASP 93 Cb 0.09 -0.79 0.79 0.00 -1.03 0.00 0.00 41.12 40.18 1a5j n ASP 93 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1a5j h ASN 94 N -1.00 0.01 0.32 -1.12 7.08 -1.92 0.55 115.58 119.50 1a5j h ASN 94 Ca -0.22 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 52.99 1a5j h ASN 94 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.38 1a5j h ASN 94 CO -0.13 -0.00 -0.15 0.00 -2.08 0.00 0.00 177.43 175.06 1a5j h ALA 95 N 1.18 -0.73 -0.01 4.14 0.00 -1.75 -1.28 119.26 120.81 1a5j h ALA 95 Ca 0.79 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.64 1a5j h ALA 95 Cb 3.15 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 21.06 1a5j h ALA 95 CO -0.02 -0.70 -0.29 0.28 0.00 0.00 0.00 179.25 178.52 1a5j h VAL 96 N -0.62 0.36 -0.36 0.00 2.07 -0.73 1.41 116.25 118.38 1a5j h VAL 96 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1a5j h VAL 96 Cb 0.32 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1a5j h VAL 96 CO 0.07 0.00 -0.31 0.50 0.02 0.00 0.00 177.57 177.85 1a5j h LYS 97 N -0.43 -0.12 -0.01 1.57 3.64 -0.16 0.39 116.57 121.44 1a5j h LYS 97 Ca 0.07 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1a5j h LYS 97 Cb 0.52 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1a5j h LYS 97 CO -0.25 -0.08 -0.12 -0.97 -2.27 0.00 0.00 179.45 175.76 1a5j h ASN 98 N -0.12 -0.34 -0.99 4.20 -0.73 -0.87 0.54 115.58 117.27 1a5j h ASN 98 Ca 0.06 0.05 0.29 0.00 1.87 0.00 0.00 56.30 58.57 1a5j h ASN 98 Cb 0.28 0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.98 1a5j h ASN 98 CO -0.40 -0.17 0.98 -0.74 -0.37 0.00 0.00 177.43 176.73 1a5j h HIS 99 N -0.19 0.00 0.01 0.67 2.76 0.34 1.04 115.15 119.78 1a5j h HIS 99 Ca 0.05 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1a5j h HIS 99 Cb 0.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1a5j h HIS 99 CO -0.18 0.00 -0.00 2.35 -1.30 0.00 0.00 177.93 178.79 1a5j h TRP 100 N 0.00 -0.01 0.00 5.26 -0.00 0.21 -2.38 115.95 119.03 1a5j h TRP 100 Ca 0.47 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.36 1a5j h TRP 100 Cb 2.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.58 1a5j h TRP 100 CO 0.00 -0.01 0.00 0.09 -0.00 0.00 0.00 178.44 178.52 1a5j n ASN 101 N -2.03 0.00 0.00 2.65 3.02 0.19 -1.12 115.26 117.97 1a5j n ASN 101 Ca -0.00 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1a5j n ASN 101 Cb 0.00 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 -1.24 0.00 0.00 6.41 7.64 0.34 -4.69 113.62 122.08 1a5j n SER 102 Ca 0.06 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1a5j n SER 102 Cb 0.09 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.50 0.00 -0.71 0.44 -1.04 -0.94 -4.66 114.28 106.87 1a5j n THR 103 Ca 0.00 -0.28 -0.18 0.00 -2.04 0.00 0.00 64.05 61.55 1a5j n THR 103 Cb 0.00 0.80 0.07 0.00 -1.82 0.00 0.00 70.33 69.38 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 -1.04 2.70 -2.99 12.58 5.41 -0.27 -4.37 119.36 131.37 1a5j n ILE 104 Ca 0.00 -1.61 -0.16 0.00 1.00 0.00 0.00 62.75 61.98 1a5j n ILE 104 Cb 0.00 -1.03 -0.02 0.00 -0.71 0.00 0.00 39.64 37.89 1a5j n ILE 104 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1a5j n LYS 105 N -0.19 0.65 0.35 0.38 4.76 -0.40 -4.60 118.16 119.10 1a5j n LYS 105 Ca 0.37 -2.50 -0.15 0.00 -2.87 0.00 0.00 58.31 53.15 1a5j n LYS 105 Cb 0.87 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 32.59 1a5j n LYS 105 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1a5j h ARG 106 N 4.31 -0.87 -5.59 1.97 0.11 -1.89 -3.36 114.38 109.06 1a5j h ARG 106 Ca 0.01 0.06 -0.32 0.00 0.10 0.00 0.00 59.98 59.83 1a5j h ARG 106 Cb 0.97 0.20 -0.04 0.00 1.11 0.00 0.00 29.97 32.20 1a5j h ARG 106 CO 0.35 -0.55 0.94 0.15 0.10 0.00 0.00 179.97 180.96 1a5j s LYS 107 N -4.96 2.55 -0.27 0.08 3.01 -1.26 -4.57 119.74 114.33 1a5j s LYS 107 Ca -0.15 -0.79 -0.15 0.00 -1.01 0.00 0.00 55.97 53.87 1a5j s LYS 107 Cb 0.02 -5.17 -0.13 0.00 -1.01 0.00 0.00 37.83 31.54 1a5j s LYS 107 CO 0.48 -3.68 -0.27 0.28 0.51 0.00 0.00 175.35 172.68 1a5j n VAL 108 N 7.81 1.53 -0.57 3.17 0.31 -1.26 -4.36 118.33 124.96 1a5j n VAL 108 Ca 0.43 -0.32 -0.17 0.00 -0.01 0.00 0.00 64.34 64.27 1a5j n VAL 108 Cb 0.47 -1.92 0.09 0.00 -0.91 0.00 0.00 33.84 31.57 1a5j n VAL 108 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1a5j n ASP 109 N -4.28 4.45 0.00 4.52 -0.08 -1.26 -5.24 116.55 114.65 1a5j n ASP 109 Ca -0.50 -3.08 0.00 0.00 -1.51 0.00 0.00 54.79 49.70 1a5j n ASP 109 Cb 0.85 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73