#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 0.00 0.00 -0.61 -4.36 -1.26 -5.18 121.20 109.79 1a5j s ILE 2 Ca 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 1a5j s ILE 2 Cb 0.00 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 42.01 1a5j s ILE 2 CO 0.00 0.00 0.00 -0.81 0.24 0.00 0.00 174.94 174.37 1a5j n PRO 3 N -0.44 -0.26 -0.69 0.37 -0.04 -1.26 -4.99 135.00 127.69 1a5j n PRO 3 Ca -0.08 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.08 1a5j n PRO 3 Cb 0.61 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.33 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 -1.25 0.15 -0.37 3.54 2.15 -1.26 -3.78 116.67 115.85 1a5j s ASP 4 Ca 0.00 0.91 0.00 0.00 0.43 0.00 0.00 52.55 53.89 1a5j s ASP 4 Cb 0.00 -1.32 0.00 0.00 -0.30 0.00 0.00 42.92 41.30 1a5j s ASP 4 CO 0.00 -4.63 0.00 0.18 -0.17 0.00 0.00 175.17 170.55 1a5j n LEU 5 N -5.14 -0.11 -0.05 -1.34 4.32 -1.26 -4.85 117.00 108.57 1a5j n LEU 5 Ca 0.11 0.09 -0.01 0.00 -0.02 0.00 0.00 56.01 56.17 1a5j n LEU 5 Cb 0.59 -1.18 -0.15 0.00 -1.62 0.00 0.00 43.42 41.06 1a5j n LEU 5 CO 0.47 -0.33 -0.86 0.52 -1.22 0.00 0.00 177.39 175.98 1a5j n VAL 6 N -2.76 0.92 0.90 4.08 0.31 -1.25 -3.45 118.33 117.08 1a5j n VAL 6 Ca -0.03 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 1a5j n VAL 6 Cb 0.19 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 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 -2.63 0.90 0.00 5.55 4.01 -1.26 -4.02 118.16 120.71 1a5j n LYS 7 Ca -0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 1a5j n LYS 7 Cb 0.91 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 34.12 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 0.23 -1.76 3.67 0.72 0.00 -1.26 -5.13 105.19 101.65 1a5j n GLY 8 Ca 0.00 0.71 -0.43 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 4.27 0.89 1.61 0.04 -1.22 -4.94 135.00 135.64 1a5j s PRO 9 Ca 0.00 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 1a5j s PRO 9 Cb 0.00 -3.71 0.12 0.00 0.04 0.00 0.00 34.50 30.96 1a5j s PRO 9 CO 0.00 -0.64 1.14 -1.58 0.04 0.00 0.00 177.00 175.96 1a5j s TRP 10 N 3.13 2.60 0.11 0.56 0.52 -1.26 -5.08 118.94 119.51 1a5j s TRP 10 Ca 0.56 0.87 -0.02 0.00 0.02 0.00 0.00 56.10 57.53 1a5j s TRP 10 Cb -0.23 -3.37 0.01 0.00 -1.15 0.00 0.00 33.47 28.73 1a5j s TRP 10 CO 0.17 -2.24 0.18 0.25 0.02 0.00 0.00 176.95 175.33 1a5j n THR 11 N -3.68 0.00 -0.26 2.01 -2.24 -1.26 -5.00 114.28 103.84 1a5j n THR 11 Ca 0.07 -0.48 0.30 0.00 -2.27 0.00 0.00 64.05 61.67 1a5j n THR 11 Cb 0.59 0.33 0.70 0.00 -2.10 0.00 0.00 70.33 69.85 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 0.07 0.00 -0.78 1.63 -1.98 -1.78 116.57 113.73 1a5j h LYS 12 Ca -0.09 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1a5j h LYS 12 Cb 0.37 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1a5j h LYS 12 CO 0.12 0.04 0.00 -1.91 -3.45 0.00 0.00 179.45 174.25 1a5j n GLU 13 N -4.29 0.00 -0.35 1.90 0.00 -1.26 0.21 120.64 116.85 1a5j n GLU 13 Ca 0.23 0.48 0.14 0.00 0.00 0.00 0.00 57.16 58.00 1a5j n GLU 13 Cb 1.07 -1.24 0.33 0.00 0.00 0.00 0.00 31.44 31.60 1a5j n GLU 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1a5j h GLU 14 N 0.00 0.71 0.00 5.31 3.07 -1.84 0.92 114.58 122.75 1a5j h GLU 14 Ca 0.00 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 1a5j h GLU 14 Cb 0.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1a5j h GLU 14 CO 0.00 0.47 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.49 1a5j h ASP 15 N 0.74 0.00 0.51 1.42 3.32 -0.85 -0.49 116.42 121.07 1a5j h ASP 15 Ca 0.59 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.58 1a5j h ASP 15 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1a5j h ASP 15 CO -0.39 0.15 -0.28 0.06 -1.72 0.00 0.00 179.24 177.07 1a5j h GLN 16 N 0.00 0.00 0.10 3.56 -0.00 1.02 -2.87 115.11 116.93 1a5j h GLN 16 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1a5j h GLN 16 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 1a5j h GLN 16 CO 0.02 0.28 -0.05 -0.22 -0.00 0.00 0.00 178.83 178.86 1a5j h LYS 17 N 0.00 -0.13 -0.09 0.06 3.64 -0.67 -1.14 116.57 118.24 1a5j h LYS 17 Ca -0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1a5j h LYS 17 Cb 0.61 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 1a5j h LYS 17 CO 0.04 0.15 -0.37 0.28 -2.27 0.00 0.00 179.45 177.28 1a5j h VAL 18 N -0.42 0.22 -0.61 2.00 2.07 -1.45 1.76 116.25 119.82 1a5j h VAL 18 Ca -0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.68 1a5j h VAL 18 Cb 0.35 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1a5j h VAL 18 CO 0.02 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.45 1a5j h ILE 19 N -0.47 0.71 0.00 4.57 5.03 -1.48 0.72 117.51 126.60 1a5j h ILE 19 Ca 0.08 -0.02 -0.10 0.00 -0.12 0.00 0.00 64.86 64.70 1a5j h ILE 19 Cb 0.59 0.66 -0.02 0.00 -3.03 0.00 0.00 36.82 35.03 1a5j h ILE 19 CO -0.35 0.01 -0.72 -0.33 -0.68 0.00 0.00 178.15 176.09 1a5j h GLU 20 N 0.05 0.00 -0.21 2.37 5.08 0.11 -2.65 114.58 119.32 1a5j h GLU 20 Ca 0.29 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1a5j h GLU 20 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1a5j h GLU 20 CO -0.02 0.35 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.95 1a5j h LEU 21 N 0.00 0.66 -0.51 1.33 3.38 0.87 -0.39 115.31 120.63 1a5j h LEU 21 Ca -0.04 -0.52 -0.16 0.00 0.09 0.00 0.00 57.88 57.25 1a5j h LEU 21 Cb 1.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1a5j h LEU 21 CO 0.05 1.05 -0.49 0.58 0.09 0.00 0.00 178.44 179.72 1a5j h VAL 22 N 0.28 1.30 0.00 1.22 2.07 -1.13 1.85 116.25 121.84 1a5j h VAL 22 Ca 0.02 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1a5j h VAL 22 Cb 0.91 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1a5j h VAL 22 CO 0.08 0.54 0.00 0.07 0.02 0.00 0.00 177.57 178.27 1a5j h LYS 23 N 0.52 0.00 0.00 1.57 5.09 -1.40 0.65 116.57 123.00 1a5j h LYS 23 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.67 1a5j h LYS 23 Cb 1.03 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.35 1a5j h LYS 23 CO 0.10 0.00 -1.84 1.17 -2.09 0.00 0.00 179.45 176.79 1a5j n LYS 24 N -2.56 0.88 -0.07 0.07 4.81 -0.16 -4.66 118.16 116.46 1a5j n LYS 24 Ca 0.02 -0.10 -0.08 0.00 -0.87 0.00 0.00 58.31 57.28 1a5j n LYS 24 Cb 0.29 -1.38 -0.04 0.00 0.02 0.00 0.00 35.03 33.91 1a5j n LYS 24 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1a5j h TYR 25 N 0.00 0.00 -5.81 5.64 -1.99 0.32 -3.50 116.97 111.63 1a5j h TYR 25 Ca -0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1a5j h TYR 25 Cb 1.16 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 1a5j h TYR 25 CO 0.00 0.38 -0.14 0.41 -0.00 0.00 0.00 178.16 178.81 1a5j n GLY 26 N 1.60 -0.47 0.00 3.88 0.00 0.23 -4.88 105.19 105.55 1a5j n GLY 26 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.41 0.00 0.00 2.61 5.66 -1.26 -5.01 114.28 118.68 1a5j n THR 27 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1a5j n THR 27 Cb 0.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 -3.81 1.09 5.02 -1.26 -5.12 118.16 114.08 1a5j n LYS 28 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1a5j n LYS 28 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 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 1.98 0.00 1.97 -0.21 -1.26 -4.84 119.66 117.31 1a5j s GLN 29 Ca 0.00 -1.91 0.08 0.00 0.02 0.00 0.00 55.36 53.55 1a5j s GLN 29 Cb 0.00 -3.54 -0.02 0.00 1.00 0.00 0.00 33.01 30.44 1a5j s GLN 29 CO 0.00 -1.07 0.50 0.91 -2.12 0.00 0.00 175.29 173.51 1a5j n TRP 30 N 4.42 0.00 -0.07 0.91 7.02 -1.26 -4.58 117.44 123.88 1a5j n TRP 30 Ca -0.00 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.29 1a5j n TRP 30 Cb 0.41 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.17 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 0.66 1.36 -0.32 -0.99 1.03 -1.97 -3.30 112.91 109.39 1a5j h THR 31 Ca 0.00 -2.30 0.09 0.00 -0.01 0.00 0.00 66.41 64.20 1a5j h THR 31 Cb 0.25 2.86 -0.01 0.00 -1.07 0.00 0.00 68.15 70.18 1a5j h THR 31 CO 0.00 0.51 0.53 0.17 -0.01 0.00 0.00 175.52 176.72 1a5j h LEU 32 N -0.90 0.00 -0.15 0.00 -0.00 -1.96 0.90 115.31 113.20 1a5j h LEU 32 Ca -0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.62 1a5j h LEU 32 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1a5j h LEU 32 CO -0.07 0.00 -0.24 0.40 -0.00 0.00 0.00 178.44 178.53 1a5j h ILE 33 N 0.00 1.36 -0.58 0.15 5.03 -1.81 -0.97 117.51 120.69 1a5j h ILE 33 Ca 0.15 -1.47 0.00 0.00 -0.12 0.00 0.00 64.86 63.42 1a5j h ILE 33 Cb 1.21 1.95 0.00 0.00 -3.03 0.00 0.00 36.82 36.95 1a5j h ILE 33 CO -0.00 0.44 0.00 0.00 -0.68 0.00 0.00 178.15 177.91 1a5j n ALA 34 N -2.47 3.66 -0.03 1.87 0.00 0.23 -3.46 120.51 120.32 1a5j n ALA 34 Ca -0.06 -1.77 -0.03 0.00 0.00 0.00 0.00 53.44 51.57 1a5j n ALA 34 Cb 0.44 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 0.73 2.65 -0.08 0.00 0.00 0.25 -4.74 118.16 116.96 1a5j n LYS 35 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.43 1a5j n LYS 35 Cb 1.10 -1.14 -0.10 0.00 0.00 0.00 0.00 35.03 34.89 1a5j n LYS 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a5j h HIS 36 N 0.00 0.00 -1.61 5.64 3.86 -1.31 -3.41 115.15 118.32 1a5j h HIS 36 Ca -0.15 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.40 1a5j h HIS 36 Cb 1.31 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.65 1a5j h HIS 36 CO 0.00 1.03 1.43 -0.51 0.86 0.00 0.00 177.93 180.74 1a5j s LEU 37 N -8.10 4.28 0.00 2.43 1.43 -1.22 -4.97 118.68 112.54 1a5j s LEU 37 Ca -0.21 -2.09 0.00 0.00 -1.03 0.00 0.00 54.13 50.80 1a5j s LEU 37 Cb 0.02 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1a5j s LEU 37 CO 0.54 -1.18 0.00 0.29 0.23 0.00 0.00 176.35 176.23 1a5j n LYS 38 N 7.56 1.11 0.00 1.70 4.01 -1.26 -4.45 118.16 126.82 1a5j n LYS 38 Ca 0.34 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.14 1a5j n LYS 38 Cb 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.00 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a5j n GLY 39 N 5.00 1.55 2.86 0.72 0.00 -1.26 -4.82 105.19 109.25 1a5j n GLY 39 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 1a5j n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5j n ARG 40 N 0.00 0.42 -2.41 1.61 3.00 -1.26 -5.03 116.66 112.99 1a5j n ARG 40 Ca 0.00 -2.97 -0.34 0.00 -0.01 0.00 0.00 57.85 54.53 1a5j n ARG 40 Cb 0.00 2.23 -0.02 0.00 0.00 0.00 0.00 32.46 34.67 1a5j n ARG 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1a5j s LEU 41 N 0.00 3.80 0.28 0.55 2.01 -1.26 -4.92 118.68 119.14 1a5j s LEU 41 Ca 0.31 2.04 -0.19 0.00 0.01 0.00 0.00 54.13 56.30 1a5j s LEU 41 Cb 0.02 -4.57 -0.13 0.00 0.01 0.00 0.00 46.19 41.51 1a5j s LEU 41 CO 0.22 -0.98 0.18 0.61 1.01 0.00 0.00 176.35 177.39 1a5j n GLY 42 N -0.06 -2.02 3.58 -3.19 0.00 -1.26 -4.53 105.19 97.71 1a5j n GLY 42 Ca 0.10 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 1a5j n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a5j s LYS 43 N -0.83 1.36 -0.40 1.61 2.36 -1.26 -3.55 119.74 119.04 1a5j s LYS 43 Ca 0.50 -0.55 -0.11 0.00 -2.55 0.00 0.00 55.97 53.26 1a5j s LYS 43 Cb -0.60 -5.02 0.01 0.00 -1.05 0.00 0.00 37.83 31.17 1a5j s LYS 43 CO 0.50 -5.31 0.51 1.04 1.55 0.00 0.00 175.35 173.65 1a5j n GLN 44 N 8.18 -1.85 -1.62 4.03 3.00 -1.26 -4.87 117.38 122.99 1a5j n GLN 44 Ca 0.42 1.78 -0.46 0.00 -0.01 0.00 0.00 57.00 58.73 1a5j n GLN 44 Cb 0.47 -4.99 -0.03 0.00 0.00 0.00 0.00 30.24 25.69 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a5j n ARG 46 N 1.39 -1.05 -3.61 0.00 1.74 -1.26 -5.01 116.66 108.86 1a5j n ARG 46 Ca 0.11 1.19 -0.03 0.00 -0.77 0.00 0.00 57.85 58.36 1a5j n ARG 46 Cb 0.30 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 29.78 1a5j n ARG 46 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1a5j s GLU 47 N -1.39 0.52 0.00 5.56 2.02 -1.22 -4.66 118.70 119.52 1a5j s GLU 47 Ca 0.08 1.00 0.00 0.00 0.02 0.00 0.00 54.97 56.07 1a5j s GLU 47 Cb -0.01 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.50 1a5j s GLU 47 CO 0.28 -0.13 0.00 -2.13 0.02 0.00 0.00 175.26 173.31 1a5j n ARG 48 N 4.38 0.00 0.03 1.61 0.63 -1.26 -4.68 116.66 117.37 1a5j n ARG 48 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1a5j n ARG 48 Cb 0.56 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.43 1a5j n ARG 48 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1a5j n TRP 49 N -2.00 -0.33 0.15 -0.14 8.01 -1.26 -4.83 117.44 117.05 1a5j n TRP 49 Ca 0.00 0.06 -0.08 0.00 -1.31 0.00 0.00 57.50 56.17 1a5j n TRP 49 Cb 0.00 0.25 -0.04 0.00 -2.01 0.00 0.00 31.31 29.51 1a5j n TRP 49 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 1a5j h HIS 50 N 0.00 -0.53 -2.42 -5.99 2.76 -1.86 -3.31 115.15 103.80 1a5j h HIS 50 Ca 0.00 -0.00 -0.72 0.00 -2.20 0.00 0.00 60.37 57.45 1a5j h HIS 50 Cb 0.00 0.20 -0.19 0.00 1.55 0.00 0.00 27.41 28.97 1a5j h HIS 50 CO 0.00 -0.28 1.03 -0.80 -1.30 0.00 0.00 177.93 176.57 1a5j s ASN 51 N -2.96 6.88 0.00 3.26 0.01 -1.26 -4.06 114.94 116.80 1a5j s ASN 51 Ca -0.07 -2.60 0.00 0.00 -0.71 0.00 0.00 52.86 49.48 1a5j s ASN 51 Cb 0.01 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.29 1a5j s ASN 51 CO 0.24 -0.85 0.00 1.57 -1.51 0.00 0.00 177.10 176.54 1a5j n HIS 52 N 5.81 -1.01 -1.46 2.20 -0.00 -1.25 -4.09 115.22 115.43 1a5j n HIS 52 Ca 0.30 0.00 -0.55 0.00 0.46 0.00 0.00 57.72 57.93 1a5j n HIS 52 Cb 0.46 0.20 -0.08 0.00 -0.12 0.00 0.00 29.99 30.44 1a5j n HIS 52 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1a5j n LEU 53 N -1.86 1.83 -2.70 0.27 7.94 -1.26 -4.80 117.00 116.42 1a5j n LEU 53 Ca 0.00 0.62 -0.03 0.00 -1.11 0.00 0.00 56.01 55.49 1a5j n LEU 53 Cb 0.00 -1.14 0.03 0.00 0.53 0.00 0.00 43.42 42.83 1a5j n LEU 53 CO 0.00 -0.68 0.38 0.21 -1.11 0.00 0.00 177.39 176.20 1a5j s ASN 54 N 6.16 -0.60 0.00 1.96 3.84 -1.26 -5.15 114.94 119.89 1a5j s ASN 54 Ca 1.10 -0.70 0.00 0.00 0.21 0.00 0.00 52.86 53.47 1a5j s ASN 54 Cb -1.07 0.78 0.00 0.00 -0.55 0.00 0.00 41.25 40.41 1a5j s ASN 54 CO 0.57 -0.02 0.00 -0.81 -2.79 0.00 0.00 177.10 174.05 1a5j n PRO 55 N 2.73 1.40 -2.10 0.43 -0.04 -1.26 -5.11 135.00 131.05 1a5j n PRO 55 Ca 0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1a5j n PRO 55 Cb 0.62 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1a5j n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a5j n GLU 56 N 0.00 1.27 0.00 0.54 -0.58 -1.26 -5.15 120.64 115.46 1a5j n GLU 56 Ca 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1a5j n GLU 56 Cb 0.00 0.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1a5j n VAL 57 N -0.04 0.00 -0.08 2.62 0.31 -1.26 -4.98 118.33 114.90 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 0.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.00 0.00 0.00 5.55 4.81 -1.13 -4.85 118.16 122.54 1a5j n LYS 58 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a5j n LYS 58 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1a5j n LYS 58 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1a5j n LYS 59 N -0.01 0.00 -1.44 1.64 4.76 -1.26 -3.69 118.16 118.16 1a5j n LYS 59 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1a5j n LYS 59 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 1a5j n LYS 59 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1a5j n SER 60 N -3.09 2.08 0.00 4.39 3.41 -1.26 -4.59 113.62 114.55 1a5j n SER 60 Ca 0.00 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 1a5j n SER 60 Cb 0.00 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.58 1a5j n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a5j n SER 61 N 13.45 0.00 -3.79 4.04 3.41 -1.24 -5.16 113.62 124.33 1a5j n SER 61 Ca 0.45 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.76 1a5j n SER 61 Cb 0.44 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.66 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 -1.76 0.11 0.00 7.33 0.52 -1.26 -4.84 118.94 119.04 1a5j s TRP 62 Ca 0.00 0.70 0.00 0.00 0.02 0.00 0.00 56.10 56.82 1a5j s TRP 62 Cb 0.00 -3.05 0.00 0.00 -1.15 0.00 0.00 33.47 29.27 1a5j s TRP 62 CO 0.00 -4.49 0.00 0.25 0.02 0.00 0.00 176.95 172.73 1a5j n THR 63 N -5.28 0.00 0.00 2.01 -2.24 -1.26 -2.82 114.28 104.69 1a5j n THR 63 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1a5j n THR 63 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.13 -0.78 -0.58 -1.26 -1.90 120.64 115.98 1a5j n GLU 64 Ca 0.00 0.07 0.28 0.00 -0.42 0.00 0.00 57.16 57.09 1a5j n GLU 64 Cb 0.00 -0.64 0.68 0.00 -0.57 0.00 0.00 31.44 30.91 1a5j n GLU 64 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1a5j h GLU 65 N 0.00 0.00 -0.20 3.49 5.08 -2.00 0.88 114.58 121.83 1a5j h GLU 65 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1a5j h GLU 65 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a5j h GLU 65 CO 0.00 0.00 -0.59 0.93 -1.00 0.00 0.00 179.01 178.35 1a5j h GLU 66 N 0.00 0.76 0.04 2.33 5.08 -1.98 -1.87 114.58 118.94 1a5j h GLU 66 Ca 0.40 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1a5j h GLU 66 Cb 1.94 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 1a5j h GLU 66 CO -0.00 1.17 -0.05 0.22 -1.00 0.00 0.00 179.01 179.34 1a5j h ASP 67 N 0.49 -0.15 0.39 1.42 3.58 0.15 -2.52 116.42 119.79 1a5j h ASP 67 Ca -0.02 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1a5j h ASP 67 Cb 1.22 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.32 1a5j h ASP 67 CO 0.13 -0.09 -0.25 0.03 -2.88 0.00 0.00 179.24 176.18 1a5j h ARG 68 N -0.12 -0.59 -0.79 0.28 3.08 -1.43 -1.50 114.38 113.31 1a5j h ARG 68 Ca 0.01 0.04 0.30 0.00 0.07 0.00 0.00 59.98 60.40 1a5j h ARG 68 Cb 0.12 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.19 1a5j h ARG 68 CO -0.03 -0.39 0.47 -0.89 -1.07 0.00 0.00 179.97 178.06 1a5j n ILE 69 N -3.89 -0.24 0.13 2.04 5.41 -0.70 0.11 119.36 122.22 1a5j n ILE 69 Ca -0.07 1.32 -0.06 0.00 1.00 0.00 0.00 62.75 64.94 1a5j n ILE 69 Cb 0.26 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 37.01 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 -0.17 1.39 1.08 -0.92 0.63 117.51 119.53 1a5j h ILE 70 Ca 0.59 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.93 1a5j h ILE 70 Cb 1.71 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.40 1a5j h ILE 70 CO -0.43 0.00 -0.25 0.15 -0.69 0.00 0.00 178.15 176.93 1a5j h PHE 71 N -0.54 -0.66 -0.49 1.37 3.57 0.17 0.58 116.94 120.94 1a5j h PHE 71 Ca -0.04 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1a5j h PHE 71 Cb 0.28 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1a5j h PHE 71 CO 0.08 -0.33 0.12 1.05 -2.23 0.00 0.00 178.31 177.00 1a5j h GLU 72 N -0.29 0.26 -0.89 1.11 4.11 0.71 -0.01 114.58 119.58 1a5j h GLU 72 Ca 0.11 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.51 1a5j h GLU 72 Cb 0.46 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1a5j h GLU 72 CO -0.34 0.17 0.49 0.00 0.07 0.00 0.00 179.01 179.41 1a5j h ALA 73 N 1.36 1.14 0.00 1.06 0.00 0.07 0.12 119.26 123.01 1a5j h ALA 73 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1a5j h ALA 73 Cb 0.30 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a5j h ALA 73 CO -0.29 0.64 0.00 1.58 0.00 0.00 0.00 179.25 181.18 1a5j n HIS 74 N -4.35 0.59 0.01 0.00 -0.00 0.19 -0.15 115.22 111.52 1a5j n HIS 74 Ca 0.09 0.26 0.10 0.00 0.46 0.00 0.00 57.72 58.64 1a5j n HIS 74 Cb 0.09 -0.92 0.22 0.00 -0.12 0.00 0.00 29.99 29.26 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 -2.07 2.48 -0.01 1.57 2.85 0.37 -3.85 118.16 119.50 1a5j n LYS 75 Ca 0.01 -2.25 -0.02 0.00 -1.05 0.00 0.00 58.31 55.00 1a5j n LYS 75 Cb 0.13 -1.45 -0.01 0.00 -0.65 0.00 0.00 35.03 33.06 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 1.25 0.13 0.00 0.58 0.31 0.72 -4.98 118.33 116.35 1a5j n VAL 76 Ca 0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1a5j n VAL 76 Cb 0.54 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 -2.98 0.00 0.00 7.52 4.32 0.79 -5.10 117.00 121.55 1a5j n LEU 77 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1a5j n LEU 77 Cb 0.54 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 1a5j n LEU 77 CO 0.01 -0.17 0.00 0.61 -1.22 0.00 0.00 177.39 176.61 1a5j n GLY 78 N 2.54 -0.48 1.33 -0.72 0.00 -1.24 -4.89 105.19 101.73 1a5j n GLY 78 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 3.44 -2.90 1.61 0.23 -1.26 -4.34 115.26 112.04 1a5j n ASN 79 Ca 0.00 -2.57 -0.17 0.00 -0.53 0.00 0.00 54.58 51.30 1a5j n ASN 79 Cb 0.00 -0.62 -0.04 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 0.14 1.80 -0.24 -3.83 3.00 -1.26 -4.50 116.66 111.77 1a5j n ARG 80 Ca 0.19 -1.19 0.20 0.00 -0.01 0.00 0.00 57.85 57.03 1a5j n ARG 80 Cb 0.84 -2.25 0.52 0.00 0.00 0.00 0.00 32.46 31.57 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 5.74 0.52 0.00 -1.55 4.06 -1.91 1.93 115.95 124.74 1a5j h TRP 81 Ca 0.38 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.34 1a5j h TRP 81 Cb 0.36 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1a5j h TRP 81 CO 1.81 0.13 -0.01 0.00 -3.56 0.00 0.00 178.44 176.82 1a5j h ALA 82 N 1.61 1.34 0.00 1.49 0.00 -1.89 -1.21 119.26 120.60 1a5j h ALA 82 Ca 0.47 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 55.05 1a5j h ALA 82 Cb 1.20 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1a5j h ALA 82 CO -0.17 0.01 -2.21 -0.85 0.00 0.00 0.00 179.25 176.02 1a5j n GLU 83 N -3.58 1.11 -0.06 0.00 -0.00 0.58 -3.88 120.64 114.81 1a5j n GLU 83 Ca -0.03 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.16 57.04 1a5j n GLU 83 Cb 0.09 -1.45 -0.02 0.00 -0.00 0.00 0.00 31.44 30.06 1a5j n GLU 83 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1a5j h ILE 84 N 0.00 0.93 -0.63 3.84 1.08 0.15 -1.94 117.51 120.95 1a5j h ILE 84 Ca -0.48 -0.06 -0.10 0.00 -0.39 0.00 0.00 64.86 63.83 1a5j h ILE 84 Cb 2.09 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 36.54 1a5j h ILE 84 CO 0.02 0.03 0.02 0.00 -0.69 0.00 0.00 178.15 177.54 1a5j h ALA 85 N 1.16 0.84 -1.31 1.87 0.00 -1.47 -2.20 119.26 118.14 1a5j h ALA 85 Ca 0.11 -0.31 0.38 0.00 0.00 0.00 0.00 54.91 55.09 1a5j h ALA 85 Cb 0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1a5j h ALA 85 CO -0.12 0.67 1.01 0.87 0.00 0.00 0.00 179.25 181.69 1a5j h LYS 86 N 1.00 0.00 -0.05 0.00 1.57 -1.47 1.47 116.57 119.09 1a5j h LYS 86 Ca 0.18 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 1a5j h LYS 86 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.87 1a5j h LYS 86 CO 0.03 0.00 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.31 1a5j h LEU 87 N 0.00 0.55 -8.67 2.94 3.38 -1.13 -3.41 115.31 108.97 1a5j h LEU 87 Ca 0.62 -0.70 -0.67 0.00 0.09 0.00 0.00 57.88 57.23 1a5j h LEU 87 Cb 2.64 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 43.05 1a5j h LEU 87 CO -0.01 1.17 -0.18 -0.76 0.09 0.00 0.00 178.44 178.75 1a5j s LEU 88 N -8.48 4.56 -0.99 1.67 2.01 0.50 -5.00 118.68 112.96 1a5j s LEU 88 Ca -0.13 -0.34 -0.23 0.00 0.01 0.00 0.00 54.13 53.44 1a5j s LEU 88 Cb 0.04 -2.43 0.00 0.00 0.01 0.00 0.00 46.19 43.81 1a5j s LEU 88 CO 0.82 -0.48 1.71 -2.16 1.01 0.00 0.00 176.35 177.25 1a5j s PRO 89 N 2.19 3.10 0.00 1.29 0.04 -1.26 -3.24 135.00 137.12 1a5j s PRO 89 Ca 0.14 -0.80 0.00 0.00 0.04 0.00 0.00 61.00 60.38 1a5j s PRO 89 Cb -0.16 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1a5j s PRO 89 CO 0.13 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1a5j n GLY 90 N 6.75 0.91 3.86 0.56 0.00 -1.26 -5.14 105.19 110.87 1a5j n GLY 90 Ca 0.38 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 3.92 0.00 1.61 1.81 -1.20 -5.09 118.95 120.00 1a5j s ARG 91 Ca 0.00 0.61 0.00 0.00 -1.72 0.00 0.00 55.73 54.62 1a5j s ARG 91 Cb 0.00 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 32.11 1a5j s ARG 91 CO 0.00 0.06 0.00 0.25 -0.68 0.00 0.00 175.30 174.93 1a5j n THR 92 N -0.79 0.00 0.07 0.02 -2.24 -1.26 -4.55 114.28 105.52 1a5j n THR 92 Ca 0.03 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1a5j n THR 92 Cb 0.54 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.18 -1.77 3.42 2.03 -1.90 -2.44 116.42 115.58 1a5j h ASP 93 Ca 0.00 0.01 0.52 0.00 -0.73 0.00 0.00 57.03 56.82 1a5j h ASP 93 Cb 0.00 0.05 -0.07 0.00 -0.83 0.00 0.00 39.33 38.47 1a5j h ASP 93 CO 0.00 0.07 1.27 -0.55 -1.03 0.00 0.00 179.24 179.00 1a5j h ASN 94 N -0.61 0.01 0.26 4.15 7.08 -1.97 0.88 115.58 125.37 1a5j h ASN 94 Ca -0.02 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.19 1a5j h ASN 94 Cb 0.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.41 1a5j h ASN 94 CO 0.04 -0.01 -0.12 0.00 -2.08 0.00 0.00 177.43 175.26 1a5j h ALA 95 N 1.12 -0.62 0.69 4.14 0.00 -1.95 -2.31 119.26 120.34 1a5j h ALA 95 Ca 0.85 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.65 1a5j h ALA 95 Cb 3.38 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 21.30 1a5j h ALA 95 CO -0.02 -0.59 -0.49 0.28 0.00 0.00 0.00 179.25 178.42 1a5j h VAL 96 N -0.57 0.03 -0.83 0.00 2.07 0.00 0.36 116.25 117.30 1a5j h VAL 96 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1a5j h VAL 96 Cb 0.26 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 29.95 1a5j h VAL 96 CO 0.06 0.00 -0.47 1.17 0.02 0.00 0.00 177.57 178.35 1a5j n LYS 97 N -5.60 -0.34 0.31 1.57 4.81 0.27 0.65 118.16 119.83 1a5j n LYS 97 Ca -0.14 1.26 -0.17 0.00 -0.87 0.00 0.00 58.31 58.39 1a5j n LYS 97 Cb 0.49 -1.85 -0.08 0.00 0.02 0.00 0.00 35.03 33.60 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 -0.90 -1.18 3.14 -0.73 -1.15 -0.57 115.58 114.18 1a5j h ASN 98 Ca 0.16 0.06 0.34 0.00 1.87 0.00 0.00 56.30 58.72 1a5j h ASN 98 Cb 0.36 0.27 -0.05 0.00 0.27 0.00 0.00 38.32 39.18 1a5j h ASN 98 CO -0.79 -0.55 1.06 -0.74 -0.37 0.00 0.00 177.43 176.04 1a5j h HIS 99 N -0.86 0.00 0.00 0.67 2.76 0.39 1.23 115.15 119.33 1a5j h HIS 99 Ca -0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1a5j h HIS 99 Cb 0.71 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1a5j h HIS 99 CO -0.11 0.00 0.00 1.87 -1.30 0.00 0.00 177.93 178.39 1a5j n TRP 100 N -3.68 0.00 0.69 5.26 -0.00 0.21 -2.19 117.44 117.73 1a5j n TRP 100 Ca 0.26 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.83 1a5j n TRP 100 Cb 1.43 -0.50 0.35 0.00 -0.00 0.00 0.00 31.31 32.60 1a5j n TRP 100 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1a5j n ASN 101 N -1.99 0.00 0.00 5.87 3.02 0.28 -1.27 115.26 121.17 1a5j n ASN 101 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1a5j n ASN 101 Cb 0.00 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.20 0.00 0.00 6.41 7.64 0.40 -4.69 113.62 122.18 1a5j n SER 102 Ca 0.07 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.14 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 -0.45 0.00 -0.72 0.44 -1.04 -0.95 -4.64 114.28 106.92 1a5j n THR 103 Ca 0.00 -0.34 -0.19 0.00 -2.04 0.00 0.00 64.05 61.48 1a5j n THR 103 Cb 0.00 0.86 0.08 0.00 -1.82 0.00 0.00 70.33 69.45 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 -1.05 2.73 -3.36 12.58 5.41 -0.40 -4.61 119.36 130.67 1a5j n ILE 104 Ca 0.00 -1.64 -0.15 0.00 1.00 0.00 0.00 62.75 61.96 1a5j n ILE 104 Cb 0.00 -0.97 -0.08 0.00 -0.71 0.00 0.00 39.64 37.89 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 -2.28 0.53 0.08 0.38 -0.14 -0.42 -4.61 119.74 113.27 1a5j s LYS 105 Ca 0.39 -0.52 -0.23 0.00 -1.36 0.00 0.00 55.97 54.25 1a5j s LYS 105 Cb 0.32 -0.62 -0.14 0.00 -1.68 0.00 0.00 37.83 35.70 1a5j s LYS 105 CO 0.03 -1.13 1.65 0.07 -0.76 0.00 0.00 175.35 175.22 1a5j h ARG 106 N 7.53 0.06 -3.25 1.68 -0.00 -1.90 -3.14 114.38 115.36 1a5j h ARG 106 Ca -0.02 -0.01 -0.39 0.00 -0.00 0.00 0.00 59.98 59.57 1a5j h ARG 106 Cb 1.07 -0.01 0.01 0.00 -0.00 0.00 0.00 29.97 31.04 1a5j h ARG 106 CO 0.24 0.14 2.47 1.17 -0.00 0.00 0.00 179.97 183.99 1a5j n LYS 107 N -5.01 2.21 0.00 0.08 0.00 -1.26 -2.64 118.16 111.55 1a5j n LYS 107 Ca -0.06 -1.46 0.00 0.00 0.00 0.00 0.00 58.31 56.78 1a5j n LYS 107 Cb 0.08 -2.42 0.00 0.00 0.00 0.00 0.00 35.03 32.68 1a5j n LYS 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1a5j n VAL 108 N 3.93 0.00 -1.14 3.15 0.31 -1.19 -4.91 118.33 118.49 1a5j n VAL 108 Ca 0.47 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.61 1a5j n VAL 108 Cb 0.20 -0.10 -0.03 0.00 -0.91 0.00 0.00 33.84 33.00 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 -2.36 6.27 0.00 4.52 2.03 -1.08 -5.18 116.55 120.75 1a5j n ASP 109 Ca 0.00 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.29 1a5j n ASP 109 Cb 0.00 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35