#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 1.91 1.12 -0.61 -4.36 -1.26 -5.06 121.20 112.94 1a5j s ILE 2 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 60.65 60.20 1a5j s ILE 2 Cb 0.00 -2.77 0.27 0.00 1.25 0.00 0.00 42.46 41.21 1a5j s ILE 2 CO 0.00 0.00 1.24 -0.81 0.24 0.00 0.00 174.94 175.61 1a5j n PRO 3 N -3.98 -2.22 -0.64 0.37 -0.04 -1.26 -5.02 135.00 122.21 1a5j n PRO 3 Ca 0.11 -1.94 -0.29 0.00 -0.04 0.00 0.00 63.50 61.34 1a5j n PRO 3 Cb 0.59 -1.52 0.25 0.00 -0.04 0.00 0.00 33.50 32.78 1a5j n PRO 3 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1a5j s ASP 4 N -5.25 0.69 0.00 3.54 2.15 -1.26 -3.99 116.67 112.56 1a5j s ASP 4 Ca 0.74 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.97 1a5j s ASP 4 Cb -0.04 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 1a5j s ASP 4 CO 0.55 -4.34 0.00 0.18 -0.17 0.00 0.00 175.17 171.39 1a5j n LEU 5 N -4.98 0.00 0.00 -1.34 4.77 -1.26 -5.04 117.00 109.15 1a5j n LEU 5 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1a5j n LEU 5 Cb 0.56 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1a5j n LEU 5 CO 0.54 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 177.12 1a5j n VAL 6 N -2.88 0.00 -2.37 4.08 0.31 -1.26 -3.32 118.33 112.89 1a5j n VAL 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a5j n VAL 6 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -2.85 0.00 5.55 4.01 -1.26 -3.31 118.16 120.30 1a5j n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1a5j n LYS 7 Cb 0.00 -4.31 0.00 0.00 -0.51 0.00 0.00 35.03 30.21 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 -0.46 0.80 3.69 0.72 0.00 -1.26 -5.08 105.19 103.60 1a5j n GLY 8 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.46 4.38 0.36 1.61 0.04 -1.21 -5.01 135.00 134.71 1a5j s PRO 9 Ca 0.00 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.49 1a5j s PRO 9 Cb 0.00 -3.50 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 1a5j s PRO 9 CO 0.00 -0.39 1.02 -1.58 0.04 0.00 0.00 177.00 176.09 1a5j s TRP 10 N 1.88 3.45 0.00 0.56 0.52 -1.26 -5.04 118.94 119.06 1a5j s TRP 10 Ca 0.57 1.70 0.00 0.00 0.02 0.00 0.00 56.10 58.39 1a5j s TRP 10 Cb -0.26 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 28.98 1a5j s TRP 10 CO 0.24 -0.33 0.00 0.25 0.02 0.00 0.00 176.95 177.13 1a5j n THR 11 N 0.32 0.00 -0.38 2.01 -2.24 -1.26 -4.95 114.28 107.77 1a5j n THR 11 Ca 0.03 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 1a5j n THR 11 Cb 0.49 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.00 -0.32 -0.18 -0.78 0.00 -1.26 0.11 118.16 115.74 1a5j n LYS 12 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 58.31 59.66 1a5j n LYS 12 Cb 0.00 -2.15 -0.08 0.00 0.00 0.00 0.00 35.03 32.80 1a5j n LYS 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1a5j h GLU 13 N 0.00 -0.23 -0.85 1.64 4.81 -1.98 1.14 114.58 119.11 1a5j h GLU 13 Ca 0.25 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.64 1a5j h GLU 13 Cb 0.48 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.82 1a5j h GLU 13 CO -0.92 -0.15 0.44 0.93 -0.73 0.00 0.00 179.01 178.57 1a5j h GLU 14 N -0.24 0.60 -0.63 1.92 3.07 -1.04 0.29 114.58 118.55 1a5j h GLU 14 Ca 0.08 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1a5j h GLU 14 Cb 0.45 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 1a5j h GLU 14 CO -0.56 0.40 0.25 -0.44 -1.40 0.00 0.00 179.01 177.26 1a5j h ASP 15 N 0.62 0.84 -0.04 1.42 5.19 0.30 -0.78 116.42 123.97 1a5j h ASP 15 Ca 0.47 -0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.78 1a5j h ASP 15 Cb 0.66 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 1a5j h ASP 15 CO -0.37 0.75 0.06 0.06 -3.12 0.00 0.00 179.24 176.62 1a5j h GLN 16 N 0.91 0.00 0.04 3.56 -0.00 0.50 -1.56 115.11 118.56 1a5j h GLN 16 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.86 1a5j h GLN 16 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 1a5j h GLN 16 CO -0.02 0.00 -0.02 -0.22 -0.00 0.00 0.00 178.83 178.57 1a5j h LYS 17 N 0.00 -0.05 -0.73 0.06 3.64 -0.67 -2.03 116.57 116.79 1a5j h LYS 17 Ca 0.02 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.56 1a5j h LYS 17 Cb 0.13 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.85 1a5j h LYS 17 CO -0.00 0.40 0.14 0.28 -2.27 0.00 0.00 179.45 178.00 1a5j h VAL 18 N -0.52 0.49 -0.24 2.00 2.07 -1.24 1.62 116.25 120.43 1a5j h VAL 18 Ca -0.01 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1a5j h VAL 18 Cb 0.48 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1a5j h VAL 18 CO 0.01 0.04 0.01 0.40 0.02 0.00 0.00 177.57 178.05 1a5j h ILE 19 N 0.23 1.15 0.00 4.57 5.03 -1.44 0.15 117.51 127.20 1a5j h ILE 19 Ca 0.41 -0.57 -0.02 0.00 -0.12 0.00 0.00 64.86 64.56 1a5j h ILE 19 Cb 0.71 0.96 -0.00 0.00 -3.03 0.00 0.00 36.82 35.45 1a5j h ILE 19 CO -0.53 0.19 -0.19 -0.33 -0.68 0.00 0.00 178.15 176.61 1a5j h GLU 20 N 0.35 0.00 0.00 2.37 5.08 0.17 -2.66 114.58 119.90 1a5j h GLU 20 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1a5j h GLU 20 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1a5j h GLU 20 CO 0.00 0.08 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.02 1a5j h LEU 21 N 0.00 -0.00 -1.20 1.33 3.38 0.35 -2.24 115.31 116.91 1a5j h LEU 21 Ca -0.00 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 57.10 1a5j h LEU 21 Cb 1.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1a5j h LEU 21 CO 0.01 0.91 0.54 0.58 0.09 0.00 0.00 178.44 180.56 1a5j h VAL 22 N -0.95 1.21 -0.23 1.22 2.07 -0.87 1.22 116.25 119.91 1a5j h VAL 22 Ca -0.00 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1a5j h VAL 22 Cb 0.88 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1a5j h VAL 22 CO 0.00 0.20 -0.23 0.07 0.02 0.00 0.00 177.57 177.63 1a5j h LYS 23 N 1.10 0.43 0.00 1.57 5.09 -1.55 1.74 116.57 124.95 1a5j h LYS 23 Ca 0.30 -0.15 -0.13 0.00 0.09 0.00 0.00 60.65 60.76 1a5j h LYS 23 Cb -0.13 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 32.15 1a5j h LYS 23 CO -0.06 0.64 -0.75 -0.22 -2.09 0.00 0.00 179.45 176.96 1a5j h LYS 24 N 0.39 0.00 0.00 0.07 3.64 -0.45 -3.36 116.57 116.86 1a5j h LYS 24 Ca 0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1a5j h LYS 24 Cb 0.61 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1a5j h LYS 24 CO 0.04 0.51 -0.31 1.88 -2.27 0.00 0.00 179.45 179.30 1a5j h TYR 25 N 0.00 0.00 -4.46 1.91 -1.99 0.20 -3.51 116.97 109.13 1a5j h TYR 25 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1a5j h TYR 25 Cb 1.47 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.19 1a5j h TYR 25 CO 0.00 0.13 -0.42 0.41 -0.00 0.00 0.00 178.16 178.28 1a5j n GLY 26 N 1.68 -2.27 0.00 3.88 0.00 0.59 -4.91 105.19 104.15 1a5j n GLY 26 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.98 0.00 0.00 2.61 5.66 -1.26 -4.98 114.28 118.29 1a5j n THR 27 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1a5j n THR 27 Cb 0.03 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1a5j n THR 27 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1a5j n LYS 28 N 0.00 0.00 -3.48 1.09 5.02 -1.26 -5.11 118.16 114.42 1a5j n LYS 28 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1a5j n LYS 28 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1a5j n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1a5j s GLN 29 N 0.00 3.03 -0.00 1.97 -0.21 -1.26 -4.80 119.66 118.39 1a5j s GLN 29 Ca 0.00 -2.27 0.21 0.00 0.02 0.00 0.00 55.36 53.31 1a5j s GLN 29 Cb 0.00 -4.12 -0.23 0.00 1.00 0.00 0.00 33.01 29.65 1a5j s GLN 29 CO 0.00 -1.24 0.85 0.91 -2.12 0.00 0.00 175.29 173.69 1a5j n TRP 30 N 4.14 0.00 -0.08 0.91 7.02 -1.26 -4.26 117.44 123.91 1a5j n TRP 30 Ca 0.05 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.39 1a5j n TRP 30 Cb 0.42 -0.04 -0.05 0.00 -2.42 0.00 0.00 31.31 29.23 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 1.30 -0.56 -0.99 1.03 -1.96 -2.78 112.91 108.95 1a5j h THR 31 Ca 0.00 -1.57 0.11 0.00 -0.01 0.00 0.00 66.41 64.93 1a5j h THR 31 Cb 0.53 1.66 -0.09 0.00 -1.07 0.00 0.00 68.15 69.18 1a5j h THR 31 CO 0.00 0.50 0.07 0.17 -0.01 0.00 0.00 175.52 176.25 1a5j h LEU 32 N 0.48 -0.11 -0.32 0.00 8.10 -1.96 1.54 115.31 123.04 1a5j h LEU 32 Ca 0.03 0.12 0.03 0.00 0.11 0.00 0.00 57.88 58.16 1a5j h LEU 32 Cb 0.97 0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 41.35 1a5j h LEU 32 CO 0.09 -0.03 0.14 0.40 -4.11 0.00 0.00 178.44 174.93 1a5j h ILE 33 N 0.19 0.96 -0.03 0.15 5.03 -1.77 2.47 117.51 124.51 1a5j h ILE 33 Ca 0.29 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 64.93 1a5j h ILE 33 Cb 0.44 0.63 0.00 0.00 -3.03 0.00 0.00 36.82 34.86 1a5j h ILE 33 CO -0.42 0.06 0.00 0.00 -0.68 0.00 0.00 178.15 177.11 1a5j n ALA 34 N -2.27 2.56 -0.05 1.87 0.00 -0.02 -1.04 120.51 121.57 1a5j n ALA 34 Ca -0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1a5j n ALA 34 Cb 0.09 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.54 1.45 -0.01 0.00 4.81 0.51 -4.44 118.16 119.93 1a5j n LYS 35 Ca 0.10 0.03 -0.20 0.00 -0.87 0.00 0.00 58.31 57.37 1a5j n LYS 35 Cb 0.08 -1.21 -0.14 0.00 0.02 0.00 0.00 35.03 33.78 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 0.00 0.34 -2.67 5.64 3.86 0.41 -3.38 115.15 119.35 1a5j h HIS 36 Ca -0.23 -0.25 -0.78 0.00 -1.16 0.00 0.00 60.37 57.96 1a5j h HIS 36 Cb 1.44 -0.01 -0.30 0.00 1.06 0.00 0.00 27.41 29.60 1a5j h HIS 36 CO 0.01 1.43 0.61 1.28 0.86 0.00 0.00 177.93 182.11 1a5j n LEU 37 N -4.12 6.22 0.00 2.43 4.77 -0.21 -5.02 117.00 121.07 1a5j n LEU 37 Ca -0.22 -5.30 -0.24 0.00 -0.03 0.00 0.00 56.01 50.23 1a5j n LEU 37 Cb 0.80 -1.15 0.17 0.00 -2.33 0.00 0.00 43.42 40.91 1a5j n LEU 37 CO 0.38 1.84 0.71 2.29 -1.33 0.00 0.00 177.39 181.28 1a5j n LYS 38 N 0.92 -1.08 0.00 3.23 -0.00 -1.26 -4.24 118.16 115.73 1a5j n LYS 38 Ca 0.31 -1.65 0.00 0.00 -0.00 0.00 0.00 58.31 56.97 1a5j n LYS 38 Cb 0.33 -1.11 0.00 0.00 -0.00 0.00 0.00 35.03 34.25 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a5j n GLY 39 N -2.02 2.32 1.15 2.58 0.00 -1.26 -4.67 105.19 103.28 1a5j n GLY 39 Ca 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 1a5j n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5j n ARG 40 N 0.00 2.07 0.00 1.61 0.63 -1.26 -5.06 116.66 114.66 1a5j n ARG 40 Ca 0.00 -3.41 0.00 0.00 -0.92 0.00 0.00 57.85 53.52 1a5j n ARG 40 Cb 0.00 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.07 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 -1.05 0.00 -0.20 6.15 7.99 -1.26 -4.49 117.00 124.14 1a5j n LEU 41 Ca 0.31 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.35 1a5j n LEU 41 Cb 0.88 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 44.25 1a5j n LEU 41 CO 0.16 -0.07 0.42 0.61 -1.51 0.00 0.00 177.39 177.00 1a5j n GLY 42 N 0.00 2.42 0.70 -0.72 0.00 -1.26 -4.80 105.19 101.53 1a5j n GLY 42 Ca 0.00 -0.50 0.53 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.70 -0.00 -2.18 1.61 4.81 -1.26 0.96 118.16 121.39 1a5j n LYS 43 Ca 0.07 1.11 -0.39 0.00 -0.87 0.00 0.00 58.31 58.22 1a5j n LYS 43 Cb 0.60 -2.52 0.02 0.00 0.02 0.00 0.00 35.03 33.16 1a5j n LYS 43 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1a5j n GLN 44 N -4.01 3.91 -0.43 1.64 0.00 -1.26 -4.57 117.38 112.66 1a5j n GLN 44 Ca 0.45 -3.89 0.05 0.00 -0.00 0.00 0.00 57.00 53.60 1a5j n GLN 44 Cb 2.00 -2.36 0.22 0.00 0.00 0.00 0.00 30.24 30.09 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a5j s ARG 46 N -1.85 0.53 -0.30 0.00 0.52 -1.26 -4.89 118.95 111.70 1a5j s ARG 46 Ca 0.30 0.52 -0.15 0.00 -0.52 0.00 0.00 55.73 55.88 1a5j s ARG 46 Cb 0.21 0.16 0.18 0.00 0.52 0.00 0.00 34.95 36.02 1a5j s ARG 46 CO 0.12 -1.00 1.12 -2.00 0.02 0.00 0.00 175.30 173.56 1a5j s GLU 47 N 2.77 0.13 0.00 3.54 2.12 -1.26 -4.72 118.70 121.28 1a5j s GLU 47 Ca 0.11 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1a5j s GLU 47 Cb -0.11 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.41 1a5j s GLU 47 CO -0.26 -0.13 0.00 -2.13 -0.54 0.00 0.00 175.26 172.20 1a5j n ARG 48 N 5.42 0.00 -0.05 4.30 0.00 -1.26 -4.60 116.66 120.47 1a5j n ARG 48 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.72 1a5j n ARG 48 Cb 0.54 -0.45 -0.06 0.00 0.00 0.00 0.00 32.46 32.48 1a5j n ARG 48 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1a5j n TRP 49 N -1.49 0.00 0.00 -0.14 7.02 -1.26 -4.71 117.44 116.87 1a5j n TRP 49 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1a5j n TRP 49 Cb 0.00 -0.43 0.00 0.00 -2.42 0.00 0.00 31.31 28.46 1a5j n TRP 49 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 1a5j n HIS 50 N -2.45 0.00 -0.93 -5.99 -0.00 -1.26 -4.54 115.22 100.05 1a5j n HIS 50 Ca -0.16 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.65 1a5j n HIS 50 Cb 0.77 -0.02 -0.05 0.00 -0.12 0.00 0.00 29.99 30.56 1a5j n HIS 50 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1a5j n ASN 51 N -1.25 2.68 0.09 0.26 3.02 -1.26 -3.35 115.26 115.45 1a5j n ASN 51 Ca 0.00 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 1a5j n ASN 51 Cb 0.00 -1.00 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 1a5j n ASN 51 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1a5j n HIS 52 N 6.87 -2.31 -0.79 3.10 8.25 -1.26 -4.41 115.22 124.67 1a5j n HIS 52 Ca 0.46 0.47 -0.27 0.00 -0.26 0.00 0.00 57.72 58.12 1a5j n HIS 52 Cb 0.33 1.32 -0.03 0.00 1.12 0.00 0.00 29.99 32.73 1a5j n HIS 52 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1a5j n LEU 53 N -2.94 4.15 -4.65 2.41 -0.00 -1.21 -4.89 117.00 109.87 1a5j n LEU 53 Ca 0.00 -2.69 -0.51 0.00 -0.00 0.00 0.00 56.01 52.80 1a5j n LEU 53 Cb 0.00 -1.03 -0.06 0.00 -0.00 0.00 0.00 43.42 42.33 1a5j n LEU 53 CO 0.00 0.09 1.15 -3.20 -0.00 0.00 0.00 177.39 175.43 1a5j n ASN 54 N 5.41 2.41 -3.25 1.96 5.15 -1.26 -4.96 115.26 120.72 1a5j n ASN 54 Ca 0.42 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.48 1a5j n ASN 54 Cb 0.21 -1.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 1a5j n ASN 54 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1a5j n PRO 55 N 4.00 1.48 -1.67 1.20 -0.04 -1.26 -5.12 135.00 133.59 1a5j n PRO 55 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1a5j n PRO 55 Cb 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 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 1.43 0.00 0.54 2.13 -1.26 -5.12 120.64 118.36 1a5j n GLU 56 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a5j n GLU 56 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 0.00 -3.01 6.31 0.31 -1.26 -5.11 118.33 115.56 1a5j n VAL 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a5j n VAL 57 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1a5j n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1a5j n LYS 58 N 0.00 0.00 -1.86 5.55 5.02 -1.26 -5.10 118.16 120.52 1a5j n LYS 58 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1a5j n LYS 58 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1a5j n LYS 58 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a5j s LYS 59 N -0.54 3.49 0.00 1.97 3.01 -1.26 -4.84 119.74 121.57 1a5j s LYS 59 Ca 0.00 1.84 0.00 0.00 -1.01 0.00 0.00 55.97 56.80 1a5j s LYS 59 Cb 0.00 -4.21 0.00 0.00 -1.01 0.00 0.00 37.83 32.61 1a5j s LYS 59 CO 0.00 -1.68 0.00 0.43 0.51 0.00 0.00 175.35 174.61 1a5j n SER 60 N 9.93 0.00 -1.40 2.83 7.64 -1.26 -4.98 113.62 126.38 1a5j n SER 60 Ca 0.24 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.10 1a5j n SER 60 Cb 0.45 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.84 1a5j n SER 60 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1a5j n SER 61 N 0.00 3.57 -2.63 6.43 2.88 -1.26 -4.87 113.62 117.73 1a5j n SER 61 Ca 0.00 -2.63 -0.05 0.00 -1.33 0.00 0.00 58.87 54.85 1a5j n SER 61 Cb 0.00 -0.63 0.02 0.00 -0.75 0.00 0.00 64.21 62.85 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 0.11 -3.14 -3.99 0.66 7.02 -1.26 -5.12 117.44 111.72 1a5j n TRP 62 Ca 0.21 -0.44 0.00 0.00 -1.02 0.00 0.00 57.50 56.25 1a5j n TRP 62 Cb 0.90 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 29.62 1a5j n TRP 62 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1a5j n THR 63 N -1.60 0.00 0.00 -0.99 -1.04 -1.26 -5.01 114.28 104.37 1a5j n THR 63 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1a5j n THR 63 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1a5j n THR 63 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1a5j n GLU 64 N 0.00 0.00 -0.34 -2.82 1.02 -1.26 -2.88 120.64 114.36 1a5j n GLU 64 Ca 0.00 0.29 0.30 0.00 -0.02 0.00 0.00 57.16 57.73 1a5j n GLU 64 Cb 0.00 -0.88 0.62 0.00 -0.02 0.00 0.00 31.44 31.17 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 0.19 0.00 3.49 5.08 -1.99 1.82 114.58 123.17 1a5j h GLU 65 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1a5j h GLU 65 Cb 0.00 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1a5j h GLU 65 CO 0.00 0.13 -0.14 0.93 -1.00 0.00 0.00 179.01 178.93 1a5j h GLU 66 N 0.20 0.00 0.17 2.33 5.08 -1.98 0.41 114.58 120.80 1a5j h GLU 66 Ca 0.62 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.97 1a5j h GLU 66 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1a5j h GLU 66 CO -0.20 0.14 -0.08 0.22 -1.00 0.00 0.00 179.01 178.08 1a5j h ASP 67 N 0.00 -0.20 0.09 1.42 1.82 0.29 -2.79 116.42 117.06 1a5j h ASP 67 Ca -0.00 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1a5j h ASP 67 Cb 0.32 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 1a5j h ASP 67 CO 0.02 0.19 -0.18 0.08 -1.61 0.00 0.00 179.24 177.74 1a5j h ARG 68 N -0.90 -0.33 0.00 0.28 0.11 -1.37 0.38 114.38 112.54 1a5j h ARG 68 Ca -0.02 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a5j h ARG 68 Cb 0.18 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1a5j h ARG 68 CO 0.04 -0.22 0.00 -0.89 0.10 0.00 0.00 179.97 179.00 1a5j n ILE 69 N -5.31 0.00 -0.23 0.08 5.41 0.14 -0.04 119.36 119.41 1a5j n ILE 69 Ca -0.06 1.31 -0.01 0.00 1.00 0.00 0.00 62.75 64.99 1a5j n ILE 69 Cb 0.22 -1.97 0.05 0.00 -0.71 0.00 0.00 39.64 37.24 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 0.23 -0.28 1.39 2.04 -1.47 1.75 117.51 121.17 1a5j h ILE 70 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1a5j h ILE 70 Cb 0.00 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1a5j h ILE 70 CO 0.00 0.00 0.55 0.15 0.00 0.00 0.00 178.15 178.85 1a5j h PHE 71 N -0.06 0.00 0.02 1.37 3.04 0.64 0.11 116.94 122.06 1a5j h PHE 71 Ca 0.30 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.90 1a5j h PHE 71 Cb 0.54 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.00 1a5j h PHE 71 CO -0.60 0.00 -1.96 0.39 -2.02 0.00 0.00 178.31 174.11 1a5j n GLU 72 N -3.20 0.61 0.32 1.11 1.02 0.55 -4.00 120.64 117.05 1a5j n GLU 72 Ca 0.05 0.37 0.16 0.00 -0.02 0.00 0.00 57.16 57.72 1a5j n GLU 72 Cb 0.67 -1.63 0.87 0.00 -0.02 0.00 0.00 31.44 31.33 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a5j h ALA 73 N -0.54 1.24 0.00 0.62 0.00 0.16 1.63 119.26 122.37 1a5j h ALA 73 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1a5j h ALA 73 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1a5j h ALA 73 CO -0.23 -0.24 -0.33 1.25 0.00 0.00 0.00 179.25 179.70 1a5j h HIS 74 N 0.00 0.00 -0.57 0.00 -0.00 -1.02 -2.32 115.15 111.25 1a5j h HIS 74 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1a5j h HIS 74 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 1a5j h HIS 74 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.93 178.29 1a5j n LYS 75 N -2.76 2.62 -0.03 5.26 2.85 0.55 -3.02 118.16 123.63 1a5j n LYS 75 Ca 0.03 -2.47 -0.03 0.00 -1.05 0.00 0.00 58.31 54.79 1a5j n LYS 75 Cb 0.51 -1.53 -0.04 0.00 -0.65 0.00 0.00 35.03 33.33 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 1.53 0.34 0.00 0.58 0.31 -0.75 -4.94 118.33 115.40 1a5j n VAL 76 Ca 0.22 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1a5j n VAL 76 Cb 0.60 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.30 0.03 0.00 7.52 4.32 -0.88 -5.10 117.00 120.59 1a5j n LEU 77 Ca -0.09 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1a5j n LEU 77 Cb 0.65 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 1a5j n LEU 77 CO 0.09 -0.51 0.00 0.61 -1.22 0.00 0.00 177.39 176.36 1a5j n GLY 78 N 3.28 0.21 1.18 -0.72 0.00 -1.17 -4.83 105.19 103.14 1a5j n GLY 78 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.53 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 3.11 -2.76 1.61 0.23 -1.26 -4.47 115.26 111.72 1a5j n ASN 79 Ca 0.00 -2.45 -0.17 0.00 -0.53 0.00 0.00 54.58 51.43 1a5j n ASN 79 Cb 0.00 -0.59 -0.06 0.00 -2.08 0.00 0.00 39.78 37.05 1a5j n ASN 79 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1a5j n ARG 80 N 0.19 1.86 -0.29 -3.83 0.63 -1.26 -4.50 116.66 109.46 1a5j n ARG 80 Ca 0.14 -1.16 0.18 0.00 -0.92 0.00 0.00 57.85 56.10 1a5j n ARG 80 Cb 0.72 -2.20 0.46 0.00 0.45 0.00 0.00 32.46 31.89 1a5j n ARG 80 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1a5j h TRP 81 N 5.25 0.70 -0.20 -0.14 4.06 -1.89 1.70 115.95 125.43 1a5j h TRP 81 Ca 0.36 0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.39 1a5j h TRP 81 Cb 0.51 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 1a5j h TRP 81 CO 1.75 0.16 0.28 0.00 -3.56 0.00 0.00 178.44 177.07 1a5j h ALA 82 N 1.62 1.74 0.00 1.49 0.00 -1.88 0.58 119.26 122.80 1a5j h ALA 82 Ca 0.52 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 55.10 1a5j h ALA 82 Cb 1.16 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1a5j h ALA 82 CO -0.25 -0.38 -2.23 0.39 0.00 0.00 0.00 179.25 176.78 1a5j n GLU 83 N -3.54 0.84 0.11 0.00 -0.58 0.53 -3.92 120.64 114.07 1a5j n GLU 83 Ca 0.02 0.07 -0.13 0.00 -0.42 0.00 0.00 57.16 56.70 1a5j n GLU 83 Cb 0.40 -1.44 -0.06 0.00 -0.57 0.00 0.00 31.44 29.77 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 0.44 -0.81 -3.67 1.08 0.12 0.09 117.51 114.76 1a5j h ILE 84 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1a5j h ILE 84 Cb 1.90 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 36.05 1a5j h ILE 84 CO -0.03 0.00 0.51 0.00 -0.69 0.00 0.00 178.15 177.94 1a5j h ALA 85 N 0.29 1.38 0.00 1.87 0.00 -1.17 0.14 119.26 121.77 1a5j h ALA 85 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a5j h ALA 85 Cb 0.49 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a5j h ALA 85 CO -0.15 0.55 -0.01 0.87 0.00 0.00 0.00 179.25 180.52 1a5j h LYS 86 N 1.10 0.00 0.00 0.00 1.57 -1.37 0.54 116.57 118.42 1a5j h LYS 86 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1a5j h LYS 86 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1a5j h LYS 86 CO -0.06 0.01 -0.57 1.28 -0.57 0.00 0.00 179.45 179.53 1a5j n LEU 87 N -3.47 0.65 -3.76 2.94 4.77 0.44 -4.63 117.00 113.93 1a5j n LEU 87 Ca -0.03 0.21 -0.30 0.00 -0.03 0.00 0.00 56.01 55.86 1a5j n LEU 87 Cb 0.09 -0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 40.82 1a5j n LEU 87 CO 0.24 -0.03 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.17 1a5j s LEU 88 N -3.99 2.18 -0.56 2.23 1.02 0.19 -5.07 118.68 114.67 1a5j s LEU 88 Ca 0.07 -1.47 -0.28 0.00 0.02 0.00 0.00 54.13 52.48 1a5j s LEU 88 Cb 0.14 -0.87 0.01 0.00 0.02 0.00 0.00 46.19 45.48 1a5j s LEU 88 CO 0.71 -0.38 1.50 -2.16 0.02 0.00 0.00 176.35 176.04 1a5j s PRO 89 N 1.61 3.20 0.00 1.29 0.04 -1.24 -3.31 135.00 136.60 1a5j s PRO 89 Ca 0.06 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1a5j s PRO 89 Cb -0.17 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1a5j s PRO 89 CO -0.20 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.19 1a5j n GLY 90 N 5.34 0.33 3.17 0.56 0.00 -1.26 -5.14 105.19 108.19 1a5j n GLY 90 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.83 0.00 1.61 1.81 -1.21 -5.17 118.95 116.82 1a5j s ARG 91 Ca 0.00 -1.16 0.00 0.00 -1.72 0.00 0.00 55.73 52.85 1a5j s ARG 91 Cb 0.00 -0.48 0.00 0.00 -0.45 0.00 0.00 34.95 34.02 1a5j s ARG 91 CO 0.00 0.07 0.00 0.25 -0.68 0.00 0.00 175.30 174.94 1a5j n THR 92 N 0.53 0.00 -0.02 0.02 -2.24 -1.26 -4.64 114.28 106.67 1a5j n THR 92 Ca -0.16 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 1a5j n THR 92 Cb 0.58 -1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 67.53 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 0.00 0.26 0.06 3.42 2.03 -1.92 -2.76 116.42 117.50 1a5j h ASP 93 Ca 0.00 -0.83 0.00 0.00 -0.73 0.00 0.00 57.03 55.47 1a5j h ASP 93 Cb 0.00 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.42 1a5j h ASP 93 CO 0.00 1.06 0.00 0.59 -1.03 0.00 0.00 179.24 179.86 1a5j n ASN 94 N -4.44 0.57 -0.02 4.15 3.02 -1.26 -0.31 115.26 116.97 1a5j n ASN 94 Ca -0.10 0.75 -0.00 0.00 -0.03 0.00 0.00 54.58 55.20 1a5j n ASN 94 Cb 0.56 -0.83 -0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1a5j n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5j h ALA 95 N 2.02 0.00 0.15 5.41 0.00 -1.91 -3.22 119.26 121.71 1a5j h ALA 95 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a5j h ALA 95 Cb 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1a5j h ALA 95 CO 0.00 0.03 -0.31 0.28 0.00 0.00 0.00 179.25 179.25 1a5j h VAL 96 N -0.37 0.34 -0.84 0.00 2.07 -1.21 0.25 116.25 116.49 1a5j h VAL 96 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1a5j h VAL 96 Cb 0.03 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.04 1a5j h VAL 96 CO 0.00 0.00 -0.49 1.17 0.02 0.00 0.00 177.57 178.27 1a5j n LYS 97 N -5.41 -0.37 0.18 1.57 4.81 0.57 0.47 118.16 119.97 1a5j n LYS 97 Ca -0.07 1.27 -0.14 0.00 -0.87 0.00 0.00 58.31 58.50 1a5j n LYS 97 Cb 0.32 -1.87 -0.08 0.00 0.02 0.00 0.00 35.03 33.42 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 -0.35 -0.82 3.14 -0.73 -1.46 -0.78 115.58 114.59 1a5j h ASN 98 Ca 0.14 0.02 0.24 0.00 1.87 0.00 0.00 56.30 58.56 1a5j h ASN 98 Cb 0.35 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.00 1a5j h ASN 98 CO -0.79 -0.24 0.92 -0.74 -0.37 0.00 0.00 177.43 176.20 1a5j h HIS 99 N -0.39 0.00 0.13 0.67 2.76 0.34 0.88 115.15 119.54 1a5j h HIS 99 Ca -0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1a5j h HIS 99 Cb 0.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.27 1a5j h HIS 99 CO -0.07 0.00 -0.06 2.35 -1.30 0.00 0.00 177.93 178.85 1a5j h TRP 100 N 0.00 -0.16 0.00 5.26 -0.00 0.16 -2.40 115.95 118.81 1a5j h TRP 100 Ca 0.39 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.28 1a5j h TRP 100 Cb 2.22 0.05 0.00 0.00 -0.00 0.00 0.00 29.16 31.43 1a5j h TRP 100 CO 0.00 -0.10 0.00 0.09 -0.00 0.00 0.00 178.44 178.43 1a5j n ASN 101 N -2.55 0.00 0.00 2.65 3.02 0.32 -0.96 115.26 117.73 1a5j n ASN 101 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1a5j n ASN 101 Cb 0.07 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.19 0.00 0.00 6.41 7.64 0.28 -4.71 113.62 122.04 1a5j n SER 102 Ca 0.08 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.15 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 -0.48 0.00 -0.13 0.44 -1.04 -0.97 -4.66 114.28 107.44 1a5j n THR 103 Ca 0.00 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 61.63 1a5j n THR 103 Cb 0.00 0.80 0.09 0.00 -1.82 0.00 0.00 70.33 69.40 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 -0.91 2.12 -3.45 12.58 5.41 -0.57 -4.67 119.36 129.87 1a5j n ILE 104 Ca 0.00 -0.97 -0.15 0.00 1.00 0.00 0.00 62.75 62.62 1a5j n ILE 104 Cb 0.00 -0.73 -0.11 0.00 -0.71 0.00 0.00 39.64 38.09 1a5j n ILE 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1a5j s LYS 105 N -1.68 0.24 0.00 0.38 -0.14 -0.13 -4.68 119.74 113.73 1a5j s LYS 105 Ca 0.29 0.32 0.00 0.00 -1.36 0.00 0.00 55.97 55.22 1a5j s LYS 105 Cb 0.24 -0.95 0.00 0.00 -1.68 0.00 0.00 37.83 35.45 1a5j s LYS 105 CO 0.06 -0.64 0.00 0.54 -0.76 0.00 0.00 175.35 174.55 1a5j n ARG 106 N 5.33 0.00 -1.92 1.68 1.74 -1.26 -4.51 116.66 117.72 1a5j n ARG 106 Ca -0.05 0.25 -0.24 0.00 -0.77 0.00 0.00 57.85 57.05 1a5j n ARG 106 Cb 0.50 -0.73 -0.08 0.00 -1.02 0.00 0.00 32.46 31.13 1a5j n ARG 106 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1a5j s LYS 107 N -0.55 2.08 -0.20 5.56 2.20 -1.26 -4.50 119.74 123.06 1a5j s LYS 107 Ca 0.00 -0.90 -0.16 0.00 -0.36 0.00 0.00 55.97 54.55 1a5j s LYS 107 Cb 0.00 -5.15 -0.08 0.00 -1.51 0.00 0.00 37.83 31.09 1a5j s LYS 107 CO 0.00 -4.44 -0.33 0.28 -0.36 0.00 0.00 175.35 170.50 1a5j n VAL 108 N 8.20 1.50 -3.63 4.02 0.31 -1.26 -5.02 118.33 122.45 1a5j n VAL 108 Ca 0.44 0.01 -0.27 0.00 -0.01 0.00 0.00 64.34 64.50 1a5j n VAL 108 Cb 0.47 -2.23 0.01 0.00 -0.91 0.00 0.00 33.84 31.18 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 -4.42 -4.66 0.00 4.52 2.03 -1.26 -5.24 116.55 107.52 1a5j n ASP 109 Ca -0.24 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1a5j n ASP 109 Cb 0.60 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35