#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5j n ILE 2 N 0.00 -7.22 -0.01 -0.61 2.08 -1.26 -4.99 119.36 107.35 1a5j n ILE 2 Ca 0.00 -0.60 0.00 0.00 0.56 0.00 0.00 62.75 62.71 1a5j n ILE 2 Cb 0.00 -5.21 0.00 0.00 -0.75 0.00 0.00 39.64 33.68 1a5j n ILE 2 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1a5j n PRO 3 N -2.97 0.99 -1.36 0.38 -0.04 -1.26 -4.93 135.00 125.81 1a5j n PRO 3 Ca -0.10 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.05 1a5j n PRO 3 Cb 0.59 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.13 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 4.66 -0.17 3.54 2.15 -1.26 -3.36 116.67 120.97 1a5j s ASP 4 Ca 0.00 1.71 0.00 0.00 0.43 0.00 0.00 52.55 54.69 1a5j s ASP 4 Cb 0.00 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1a5j s ASP 4 CO 0.00 -1.92 0.00 0.18 -0.17 0.00 0.00 175.17 173.26 1a5j n LEU 5 N -3.44 0.00 0.12 -1.34 4.32 -1.26 -4.87 117.00 110.52 1a5j n LEU 5 Ca 0.08 0.04 0.04 0.00 -0.02 0.00 0.00 56.01 56.15 1a5j n LEU 5 Cb 0.53 -0.92 0.01 0.00 -1.62 0.00 0.00 43.42 41.42 1a5j n LEU 5 CO 0.54 -0.20 0.26 0.58 -1.22 0.00 0.00 177.39 177.35 1a5j h VAL 6 N 0.00 0.59 0.00 4.08 2.07 -1.91 -2.51 116.25 118.57 1a5j h VAL 6 Ca -0.03 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.57 1a5j h VAL 6 Cb 0.23 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1a5j h VAL 6 CO 0.05 0.34 0.00 0.29 0.02 0.00 0.00 177.57 178.27 1a5j n LYS 7 N -3.07 0.90 0.00 1.57 4.76 -1.26 -4.04 118.16 117.02 1a5j n LYS 7 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1a5j n LYS 7 Cb 0.72 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 1a5j n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a5j n GLY 8 N 0.16 -1.81 3.67 0.72 0.00 -1.20 -5.14 105.19 101.58 1a5j n GLY 8 Ca 0.00 0.75 -0.43 0.00 0.00 0.00 0.00 46.02 46.35 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 0.77 1.61 0.04 -0.95 -4.94 135.00 135.79 1a5j s PRO 9 Ca 0.00 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1a5j s PRO 9 Cb 0.00 -3.70 0.06 0.00 0.04 0.00 0.00 34.50 30.90 1a5j s PRO 9 CO 0.00 -0.63 1.13 -1.58 0.04 0.00 0.00 177.00 175.96 1a5j s TRP 10 N 3.08 3.01 0.00 0.56 0.52 -1.26 -5.09 118.94 119.76 1a5j s TRP 10 Ca 0.56 0.74 0.00 0.00 0.02 0.00 0.00 56.10 57.41 1a5j s TRP 10 Cb -0.23 -3.35 0.00 0.00 -1.15 0.00 0.00 33.47 28.74 1a5j s TRP 10 CO 0.18 -1.58 0.00 0.25 0.02 0.00 0.00 176.95 175.82 1a5j n THR 11 N -3.17 0.00 -0.05 2.01 -2.24 -1.26 -5.02 114.28 104.55 1a5j n THR 11 Ca 0.08 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 1a5j n THR 11 Cb 0.60 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.51 0.00 -0.78 3.64 -1.98 -1.53 116.57 116.43 1a5j h LYS 12 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1a5j h LYS 12 Cb 0.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1a5j h LYS 12 CO 0.00 0.33 0.00 -1.91 -2.27 0.00 0.00 179.45 175.60 1a5j n GLU 13 N -4.47 0.00 -0.34 1.90 0.00 -1.26 0.24 120.64 116.70 1a5j n GLU 13 Ca 0.07 0.49 0.13 0.00 0.00 0.00 0.00 57.16 57.84 1a5j n GLU 13 Cb 0.20 -1.25 0.31 0.00 0.00 0.00 0.00 31.44 30.71 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 0.68 -0.01 5.31 4.39 -1.94 0.89 114.58 123.90 1a5j h GLU 14 Ca 0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1a5j h GLU 14 Cb 0.00 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1a5j h GLU 14 CO 0.00 0.45 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.71 1a5j h ASP 15 N 0.70 0.01 0.49 1.42 3.32 -0.78 -0.39 116.42 121.20 1a5j h ASP 15 Ca 0.57 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.57 1a5j h ASP 15 Cb 0.91 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1a5j h ASP 15 CO -0.40 0.16 -0.20 0.06 -1.72 0.00 0.00 179.24 177.14 1a5j h GLN 16 N 0.01 0.00 0.20 3.56 -0.00 1.06 -2.82 115.11 117.12 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 27.75 1a5j h GLN 16 CO 0.02 0.20 -0.09 -0.22 -0.00 0.00 0.00 178.83 178.74 1a5j h LYS 17 N 0.00 -0.25 -0.53 0.06 3.64 -0.67 -0.86 116.57 117.95 1a5j h LYS 17 Ca -0.00 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1a5j h LYS 17 Cb 0.50 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.28 1a5j h LYS 17 CO 0.03 0.10 -0.14 0.28 -2.27 0.00 0.00 179.45 177.45 1a5j h VAL 18 N -0.66 0.45 -0.77 2.00 2.07 -1.44 1.72 116.25 119.62 1a5j h VAL 18 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1a5j h VAL 18 Cb 0.47 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1a5j h VAL 18 CO 0.04 0.00 0.48 0.40 0.02 0.00 0.00 177.57 178.52 1a5j h ILE 19 N -0.01 1.08 0.00 4.57 5.03 -1.47 0.26 117.51 126.97 1a5j h ILE 19 Ca 0.26 -0.32 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1a5j h ILE 19 Cb 0.40 0.08 0.00 0.00 -3.03 0.00 0.00 36.82 34.27 1a5j h ILE 19 CO -0.56 0.17 0.00 -0.62 -0.68 0.00 0.00 178.15 176.46 1a5j n GLU 20 N -4.64 0.09 -0.08 2.37 -0.58 0.90 -2.15 120.64 116.55 1a5j n GLU 20 Ca 0.09 0.17 -0.16 0.00 -0.42 0.00 0.00 57.16 56.85 1a5j n GLU 20 Cb 0.12 -1.63 -0.12 0.00 -0.57 0.00 0.00 31.44 29.24 1a5j n GLU 20 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1a5j h LEU 21 N 0.00 0.00 -1.75 -4.62 3.38 0.56 -2.45 115.31 110.43 1a5j h LEU 21 Ca 0.00 -0.80 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 1a5j h LEU 21 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1a5j h LEU 21 CO 0.00 1.14 -0.17 0.58 0.09 0.00 0.00 178.44 180.08 1a5j h VAL 22 N -1.00 0.81 -0.07 1.22 2.07 -0.83 1.42 116.25 119.87 1a5j h VAL 22 Ca -0.11 -0.64 -0.21 0.00 0.82 0.00 0.00 66.70 66.55 1a5j h VAL 22 Cb 1.06 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1a5j h VAL 22 CO -0.07 0.16 -0.79 0.11 0.02 0.00 0.00 177.57 177.01 1a5j h LYS 23 N 0.00 0.67 0.00 1.57 1.79 -1.53 0.96 116.57 120.03 1a5j h LYS 23 Ca -0.00 -0.62 -0.07 0.00 -2.18 0.00 0.00 60.65 57.78 1a5j h LYS 23 Cb 0.37 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1a5j h LYS 23 CO 0.02 1.22 -0.43 -0.22 -1.08 0.00 0.00 179.45 178.96 1a5j h LYS 24 N 0.33 0.00 0.00 3.15 3.11 -0.86 -3.35 116.57 118.95 1a5j h LYS 24 Ca -0.08 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.73 1a5j h LYS 24 Cb 1.44 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.67 1a5j h LYS 24 CO 0.16 0.29 -0.42 1.88 -2.81 0.00 0.00 179.45 178.55 1a5j h TYR 25 N 0.00 0.00 -4.10 1.91 -1.99 0.20 -3.50 116.97 109.49 1a5j h TYR 25 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1a5j h TYR 25 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.98 1a5j h TYR 25 CO 0.00 0.30 -0.34 0.41 -0.00 0.00 0.00 178.16 178.53 1a5j n GLY 26 N 1.64 0.00 0.51 3.88 0.00 0.33 -4.81 105.19 106.73 1a5j n GLY 26 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.42 0.00 0.00 2.61 5.66 -1.26 -5.02 114.28 117.69 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 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 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 -2.95 0.00 -3.76 1.09 3.00 -1.26 -5.11 118.16 109.16 1a5j n LYS 28 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1a5j n LYS 28 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 1a5j n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1a5j s GLN 29 N 0.00 2.26 0.00 1.64 1.11 -1.26 -4.81 119.66 118.61 1a5j s GLN 29 Ca 0.00 -2.22 0.05 0.00 0.01 0.00 0.00 55.36 53.21 1a5j s GLN 29 Cb 0.00 -3.63 0.00 0.00 -1.01 0.00 0.00 33.01 28.37 1a5j s GLN 29 CO 0.00 -1.12 0.47 0.91 0.01 0.00 0.00 175.29 175.56 1a5j n TRP 30 N 3.96 0.00 -0.02 0.91 7.02 -1.26 -4.59 117.44 123.46 1a5j n TRP 30 Ca 0.03 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.30 1a5j n TRP 30 Cb 0.39 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.15 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 0.61 0.86 -0.23 -0.99 1.03 -1.99 -3.33 112.91 108.88 1a5j h THR 31 Ca 0.00 -2.32 0.07 0.00 -0.01 0.00 0.00 66.41 64.15 1a5j h THR 31 Cb 0.18 2.51 -0.01 0.00 -1.07 0.00 0.00 68.15 69.76 1a5j h THR 31 CO 0.00 0.66 0.37 0.17 -0.01 0.00 0.00 175.52 176.71 1a5j h LEU 32 N -0.37 0.00 -0.03 0.00 -0.00 -1.94 0.84 115.31 113.81 1a5j h LEU 32 Ca -0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.52 1a5j h LEU 32 Cb 1.72 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.38 1a5j h LEU 32 CO -0.01 0.00 -0.01 0.40 -0.00 0.00 0.00 178.44 178.82 1a5j h ILE 33 N 0.00 1.31 -0.17 0.15 5.03 -1.82 1.03 117.51 123.05 1a5j h ILE 33 Ca 0.11 -0.95 0.00 0.00 -0.12 0.00 0.00 64.86 63.90 1a5j h ILE 33 Cb 0.84 1.90 0.00 0.00 -3.03 0.00 0.00 36.82 36.53 1a5j h ILE 33 CO -0.00 0.25 0.00 0.00 -0.68 0.00 0.00 178.15 177.72 1a5j n ALA 34 N -2.31 2.52 0.08 1.87 0.00 0.58 -2.94 120.51 120.31 1a5j n ALA 34 Ca -0.08 -0.52 0.05 0.00 0.00 0.00 0.00 53.44 52.89 1a5j n ALA 34 Cb 0.22 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 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 0.32 0.94 0.00 0.00 0.00 0.26 -4.57 118.16 115.11 1a5j n LYS 35 Ca 0.16 -0.07 -0.22 0.00 0.00 0.00 0.00 58.31 58.18 1a5j n LYS 35 Cb 0.33 -1.18 -0.14 0.00 0.00 0.00 0.00 35.03 34.04 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 0.45 -3.51 5.64 3.86 0.11 -3.42 115.15 118.28 1a5j h HIS 36 Ca 0.00 -0.33 -0.73 0.00 -1.16 0.00 0.00 60.37 58.15 1a5j h HIS 36 Cb 0.41 -0.02 -0.31 0.00 1.06 0.00 0.00 27.41 28.55 1a5j h HIS 36 CO 0.00 1.70 -0.29 -0.51 0.86 0.00 0.00 177.93 179.69 1a5j s LEU 37 N -7.26 5.71 0.00 2.43 1.43 -1.15 -5.06 118.68 114.78 1a5j s LEU 37 Ca -0.22 -2.44 0.00 0.00 -1.03 0.00 0.00 54.13 50.44 1a5j s LEU 37 Cb 0.06 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1a5j s LEU 37 CO 0.76 -0.53 0.00 0.29 0.23 0.00 0.00 176.35 177.09 1a5j n LYS 38 N 4.15 0.88 0.00 1.70 4.01 -1.26 -4.42 118.16 123.22 1a5j n LYS 38 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1a5j n LYS 38 Cb 0.41 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.93 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 1.39 3.43 0.72 0.00 -1.26 -4.81 105.19 109.66 1a5j n GLY 39 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1a5j n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5j s ARG 40 N 0.00 1.69 0.64 1.61 3.00 -1.26 -5.03 118.95 119.60 1a5j s ARG 40 Ca 0.00 -1.98 -0.17 0.00 0.00 0.00 0.00 55.73 53.58 1a5j s ARG 40 Cb 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 34.95 34.42 1a5j s ARG 40 CO 0.00 -0.36 1.20 -0.51 0.00 0.00 0.00 175.30 175.63 1a5j s LEU 41 N -3.47 3.53 -0.69 2.53 2.01 -1.26 -4.76 118.68 116.57 1a5j s LEU 41 Ca 0.32 2.35 -0.34 0.00 0.01 0.00 0.00 54.13 56.47 1a5j s LEU 41 Cb 0.06 -4.59 -0.17 0.00 0.01 0.00 0.00 46.19 41.49 1a5j s LEU 41 CO 0.15 -1.80 2.43 0.61 1.01 0.00 0.00 176.35 178.75 1a5j n GLY 42 N 0.39 -0.13 3.40 -3.19 0.00 -1.26 -4.59 105.19 99.80 1a5j n GLY 42 Ca 0.13 1.04 -0.30 0.00 0.00 0.00 0.00 46.02 46.90 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 8.27 0.00 -1.70 1.61 0.00 -1.26 -3.78 118.16 121.29 1a5j n LYS 43 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.86 1a5j n LYS 43 Cb 0.12 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1a5j n LYS 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1a5j n GLN 44 N 6.66 -4.75 -3.93 1.64 3.00 -1.26 -4.96 117.38 113.77 1a5j n GLN 44 Ca 0.65 3.43 -0.31 0.00 -0.01 0.00 0.00 57.00 60.76 1a5j n GLN 44 Cb 0.09 -3.77 -0.15 0.00 0.00 0.00 0.00 30.24 26.41 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 4.52 -2.18 -1.01 0.00 1.74 -1.26 -5.02 116.66 113.46 1a5j n ARG 46 Ca -0.03 1.94 -0.03 0.00 -0.77 0.00 0.00 57.85 58.96 1a5j n ARG 46 Cb 0.43 -4.07 -0.01 0.00 -1.02 0.00 0.00 32.46 27.79 1a5j n ARG 46 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1a5j n GLU 47 N 0.25 0.14 -0.67 5.56 1.02 -1.26 -4.80 120.64 120.87 1a5j n GLU 47 Ca 0.02 -0.50 -0.03 0.00 -0.02 0.00 0.00 57.16 56.64 1a5j n GLU 47 Cb 0.08 0.44 -0.03 0.00 -0.02 0.00 0.00 31.44 31.92 1a5j n GLU 47 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1a5j n ARG 48 N -0.15 0.00 0.00 3.49 0.00 -1.26 -4.99 116.66 113.74 1a5j n ARG 48 Ca -0.12 -0.37 0.00 0.00 -0.00 0.00 0.00 57.85 57.35 1a5j n ARG 48 Cb 0.51 0.48 0.00 0.00 0.00 0.00 0.00 32.46 33.45 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 0.00 -0.03 -0.52 -0.14 2.14 -1.26 -4.93 117.44 112.70 1a5j n TRP 49 Ca -0.10 0.00 0.42 0.00 2.07 0.00 0.00 57.50 59.89 1a5j n TRP 49 Cb 0.42 0.01 0.71 0.00 -0.81 0.00 0.00 31.31 31.63 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 0.40 -1.93 -2.67 6.17 -1.96 1.21 115.15 116.37 1a5j h HIS 50 Ca 0.00 0.02 -0.66 0.00 0.71 0.00 0.00 60.37 60.44 1a5j h HIS 50 Cb 0.00 -0.09 -0.37 0.00 2.52 0.00 0.00 27.41 29.47 1a5j h HIS 50 CO 0.00 -0.21 -0.06 0.09 0.71 0.00 0.00 177.93 178.46 1a5j n ASN 51 N -4.56 5.66 0.00 3.26 3.02 -1.26 -4.73 115.26 116.66 1a5j n ASN 51 Ca 0.41 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 51.22 1a5j n ASN 51 Cb 1.64 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.37 0.00 -1.50 3.10 -0.00 0.42 -4.75 115.22 112.11 1a5j n HIS 52 Ca 0.41 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.70 1a5j n HIS 52 Cb 0.44 0.02 -0.06 0.00 -0.12 0.00 0.00 29.99 30.27 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 -1.65 -1.28 0.00 0.27 4.32 -1.25 -5.03 117.00 112.38 1a5j n LEU 53 Ca 0.00 2.57 0.00 0.00 -0.02 0.00 0.00 56.01 58.56 1a5j n LEU 53 Cb 0.00 -3.12 0.00 0.00 -1.62 0.00 0.00 43.42 38.68 1a5j n LEU 53 CO 0.00 -1.58 0.00 -3.20 -1.22 0.00 0.00 177.39 171.39 1a5j n ASN 54 N -3.66 0.00 -3.25 -1.43 5.15 -1.26 -5.17 115.26 105.65 1a5j n ASN 54 Ca -0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1a5j n ASN 54 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 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 0.00 1.46 -1.56 1.20 -0.04 -1.26 -5.12 135.00 129.68 1a5j n PRO 55 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1a5j n PRO 55 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.56 0.00 0.54 2.13 -1.26 -5.13 120.64 117.48 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 -3.95 6.31 0.31 -1.26 -5.08 118.33 114.66 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 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 0.39 -1.98 5.55 4.76 -1.26 -5.08 118.16 120.54 1a5j n LYS 58 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1a5j n LYS 58 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1a5j n LYS 58 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a5j s LYS 59 N -1.85 3.00 0.00 1.97 1.02 -1.26 -4.28 119.74 118.35 1a5j s LYS 59 Ca 0.00 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1a5j s LYS 59 Cb 0.00 -4.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 1a5j s LYS 59 CO 0.00 -2.26 0.00 -1.13 -0.92 0.00 0.00 175.35 171.04 1a5j n SER 60 N 11.55 0.00 0.00 2.83 3.41 -1.26 -4.99 113.62 125.16 1a5j n SER 60 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1a5j n SER 60 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1a5j n SER 60 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a5j n SER 61 N 0.00 0.00 -1.74 4.04 7.64 -1.26 -5.17 113.62 117.13 1a5j n SER 61 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a5j n SER 61 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a5j n SER 61 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a5j n TRP 62 N 0.00 -2.28 -3.14 1.43 7.02 -1.26 -5.14 117.44 114.07 1a5j n TRP 62 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1a5j n TRP 62 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 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 -0.76 0.00 0.00 -0.99 -2.24 -1.26 -4.53 114.28 104.50 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 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.29 -0.78 -0.58 -1.26 -2.26 120.64 115.47 1a5j n GLU 64 Ca 0.00 0.00 0.34 0.00 -0.42 0.00 0.00 57.16 57.08 1a5j n GLU 64 Cb 0.00 -0.48 0.68 0.00 -0.57 0.00 0.00 31.44 31.07 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 0.00 -0.31 3.49 4.11 -2.00 1.65 114.58 121.52 1a5j h GLU 65 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 1a5j h GLU 65 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1a5j h GLU 65 CO 0.00 0.00 -0.45 0.93 0.07 0.00 0.00 179.01 179.56 1a5j h GLU 66 N 0.00 0.81 -0.02 1.06 5.08 -1.98 -1.67 114.58 117.85 1a5j h GLU 66 Ca 0.54 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1a5j h GLU 66 Cb 2.49 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.77 1a5j h GLU 66 CO -0.01 1.09 -0.00 0.22 -1.00 0.00 0.00 179.01 179.31 1a5j h ASP 67 N 0.64 0.03 0.33 1.42 3.58 0.28 -2.78 116.42 119.94 1a5j h ASP 67 Ca 0.04 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 1a5j h ASP 67 Cb 1.03 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 1a5j h ASP 67 CO 0.10 0.35 -0.37 0.03 -2.88 0.00 0.00 179.24 176.46 1a5j h ARG 68 N -0.28 -0.69 -0.89 0.28 2.47 -1.32 -1.20 114.38 112.75 1a5j h ARG 68 Ca 0.01 0.05 0.23 0.00 -1.26 0.00 0.00 59.98 59.00 1a5j h ARG 68 Cb 0.33 0.16 -0.17 0.00 -1.65 0.00 0.00 29.97 28.64 1a5j h ARG 68 CO 0.00 -0.46 -0.05 -0.89 0.56 0.00 0.00 179.97 179.13 1a5j n ILE 69 N -4.63 -0.37 0.00 2.04 5.41 -0.63 0.86 119.36 122.04 1a5j n ILE 69 Ca -0.08 1.98 0.00 0.00 1.00 0.00 0.00 62.75 65.65 1a5j n ILE 69 Cb 0.33 -2.85 0.00 0.00 -0.71 0.00 0.00 39.64 36.41 1a5j n ILE 69 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1a5j n ILE 70 N -5.34 0.00 0.18 1.39 2.08 -0.79 0.10 119.36 116.97 1a5j n ILE 70 Ca 0.19 1.50 0.16 0.00 0.56 0.00 0.00 62.75 65.16 1a5j n ILE 70 Cb 0.62 -2.41 0.58 0.00 -0.75 0.00 0.00 39.64 37.67 1a5j n ILE 70 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1a5j h PHE 71 N 0.00 0.00 0.06 1.39 3.04 0.36 0.36 116.94 122.15 1a5j h PHE 71 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1a5j h PHE 71 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1a5j h PHE 71 CO 0.03 0.00 -0.03 1.49 -2.02 0.00 0.00 178.31 177.78 1a5j h GLU 72 N 0.00 -0.08 0.00 1.11 4.81 0.15 -2.90 114.58 117.66 1a5j h GLU 72 Ca 0.13 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1a5j h GLU 72 Cb 1.41 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 1a5j h GLU 72 CO -0.00 0.47 -0.16 0.00 -0.73 0.00 0.00 179.01 178.59 1a5j h ALA 73 N -0.30 1.49 0.00 2.92 0.00 0.26 0.76 119.26 124.38 1a5j h ALA 73 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a5j h ALA 73 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a5j h ALA 73 CO 0.01 0.20 0.00 1.25 0.00 0.00 0.00 179.25 180.71 1a5j h HIS 74 N 0.00 0.00 -0.53 0.00 2.76 -0.49 -0.57 115.15 116.32 1a5j h HIS 74 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1a5j h HIS 74 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1a5j h HIS 74 CO 0.00 0.00 0.00 0.36 -1.30 0.00 0.00 177.93 176.99 1a5j n LYS 75 N -2.43 3.74 0.00 5.26 2.85 0.24 -3.75 118.16 124.08 1a5j n LYS 75 Ca 0.03 -2.86 0.00 0.00 -1.05 0.00 0.00 58.31 54.43 1a5j n LYS 75 Cb 0.31 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 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 0.64 0.00 0.00 0.58 0.31 -0.76 -5.00 118.33 114.10 1a5j n VAL 76 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1a5j n VAL 76 Cb 0.91 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 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 -2.29 0.00 0.00 7.52 4.32 -0.29 -5.11 117.00 121.14 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 0.35 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1a5j n LEU 77 CO 0.00 -0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.60 1a5j n GLY 78 N 3.08 -0.28 1.19 -0.72 0.00 -1.25 -4.86 105.19 102.35 1a5j n GLY 78 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 3.38 -2.90 1.61 0.23 -1.26 -4.52 115.26 111.80 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 -0.57 -0.04 0.00 -2.08 0.00 0.00 39.78 37.09 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 0.36 1.78 -0.23 -3.83 3.00 -1.26 -4.50 116.66 111.98 1a5j n ARG 80 Ca 0.15 -1.19 0.20 0.00 -0.01 0.00 0.00 57.85 57.00 1a5j n ARG 80 Cb 0.71 -2.25 0.54 0.00 0.00 0.00 0.00 32.46 31.46 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 5.78 0.47 0.00 -1.55 4.06 -1.89 3.79 115.95 126.62 1a5j h TRP 81 Ca 0.38 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.32 1a5j h TRP 81 Cb 0.35 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1a5j h TRP 81 CO 1.81 0.12 -0.11 0.00 -3.56 0.00 0.00 178.44 176.71 1a5j h ALA 82 N 1.61 1.55 -0.00 1.49 0.00 -1.82 -0.48 119.26 121.61 1a5j h ALA 82 Ca 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1a5j h ALA 82 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a5j h ALA 82 CO -0.16 0.13 -0.38 0.39 0.00 0.00 0.00 179.25 179.24 1a5j n GLU 83 N -4.02 3.19 0.11 0.00 -0.58 0.55 -4.36 120.64 115.54 1a5j n GLU 83 Ca -0.02 -0.21 -0.24 0.00 -0.42 0.00 0.00 57.16 56.27 1a5j n GLU 83 Cb 0.19 -1.01 -0.15 0.00 -0.57 0.00 0.00 31.44 29.90 1a5j n GLU 83 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1a5j h ILE 84 N 0.39 1.28 0.00 -3.67 6.09 0.71 -3.19 117.51 119.13 1a5j h ILE 84 Ca 0.00 -2.63 0.00 0.00 -1.37 0.00 0.00 64.86 60.86 1a5j h ILE 84 Cb 0.27 3.04 0.00 0.00 0.47 0.00 0.00 36.82 40.60 1a5j h ILE 84 CO 0.00 0.79 0.00 0.00 -3.07 0.00 0.00 178.15 175.87 1a5j h ALA 85 N 0.12 1.00 -0.62 0.18 0.00 -1.30 -2.64 119.26 116.01 1a5j h ALA 85 Ca -0.25 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1a5j h ALA 85 Cb 2.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 1a5j h ALA 85 CO 0.23 0.00 0.41 0.87 0.00 0.00 0.00 179.25 180.76 1a5j h LYS 86 N 0.00 0.76 0.00 0.00 1.79 -1.75 0.51 116.57 117.88 1a5j h LYS 86 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1a5j h LYS 86 Cb 0.41 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1a5j h LYS 86 CO 0.00 0.50 0.00 1.28 -1.08 0.00 0.00 179.45 180.15 1a5j n LEU 87 N -4.45 0.00 -4.53 2.94 4.32 -0.99 -4.73 117.00 109.55 1a5j n LEU 87 Ca 0.07 0.31 -0.24 0.00 -0.02 0.00 0.00 56.01 56.13 1a5j n LEU 87 Cb 0.09 -0.31 -0.09 0.00 -1.62 0.00 0.00 43.42 41.48 1a5j n LEU 87 CO 0.35 -0.09 -0.43 -0.76 -1.22 0.00 0.00 177.39 175.25 1a5j s LEU 88 N -2.63 2.81 -1.01 2.23 1.02 0.18 -5.01 118.68 116.27 1a5j s LEU 88 Ca 0.19 -0.85 -0.23 0.00 0.02 0.00 0.00 54.13 53.26 1a5j s LEU 88 Cb 0.14 -1.36 0.00 0.00 0.02 0.00 0.00 46.19 45.00 1a5j s LEU 88 CO 0.34 0.04 1.72 -2.16 0.02 0.00 0.00 176.35 176.30 1a5j s PRO 89 N -3.43 3.11 -0.07 1.29 0.04 -1.26 -4.51 135.00 130.17 1a5j s PRO 89 Ca 0.29 -0.86 -0.05 0.00 0.04 0.00 0.00 61.00 60.43 1a5j s PRO 89 Cb -0.06 -5.24 0.02 0.00 0.04 0.00 0.00 34.50 29.25 1a5j s PRO 89 CO 0.16 -2.83 0.10 0.41 0.04 0.00 0.00 177.00 174.88 1a5j n GLY 90 N 6.67 -3.55 0.55 0.56 0.00 -1.26 -4.99 105.19 103.17 1a5j n GLY 90 Ca 0.38 0.72 -0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 1.98 0.00 0.00 1.61 5.12 -1.26 -5.12 116.66 118.98 1a5j n ARG 91 Ca -0.16 -0.60 0.00 0.00 -1.93 0.00 0.00 57.85 55.16 1a5j n ARG 91 Cb 0.25 -0.23 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 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 0.02 0.00 -0.03 0.55 -2.24 -1.26 -3.55 114.28 107.76 1a5j n THR 92 Ca -0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1a5j n THR 92 Cb 0.63 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 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 -3.37 3.61 0.12 3.42 5.75 -1.26 -4.27 116.55 120.56 1a5j n ASP 93 Ca 0.00 -0.02 0.11 0.00 -0.01 0.00 0.00 54.79 54.86 1a5j n ASP 93 Cb 0.00 0.10 0.48 0.00 -1.03 0.00 0.00 41.12 40.67 1a5j n ASP 93 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1a5j n ASN 94 N -2.54 0.55 -0.00 -1.12 3.02 -1.26 -0.25 115.26 113.65 1a5j n ASN 94 Ca -0.10 0.67 -0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1a5j n ASN 94 Cb 0.62 -0.77 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 2.19 0.00 0.37 5.41 0.00 -1.79 -3.14 119.26 122.30 1a5j h ALA 95 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1a5j h ALA 95 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1a5j h ALA 95 CO 0.00 0.00 -0.25 0.28 0.00 0.00 0.00 179.25 179.28 1a5j h VAL 96 N -0.09 0.48 -0.65 0.00 2.07 -1.59 0.19 116.25 116.65 1a5j h VAL 96 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1a5j h VAL 96 Cb 0.00 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.17 1a5j h VAL 96 CO 0.00 0.00 -0.38 1.17 0.02 0.00 0.00 177.57 178.38 1a5j n LYS 97 N -5.38 -0.28 0.05 1.57 4.81 0.66 0.34 118.16 119.93 1a5j n LYS 97 Ca -0.10 1.26 -0.11 0.00 -0.87 0.00 0.00 58.31 58.49 1a5j n LYS 97 Cb 0.28 -1.87 -0.04 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 -0.50 -0.80 3.14 -0.73 -1.46 0.14 115.58 115.36 1a5j h ASN 98 Ca 0.10 0.07 0.23 0.00 1.87 0.00 0.00 56.30 58.58 1a5j h ASN 98 Cb 0.27 0.21 -0.03 0.00 0.27 0.00 0.00 38.32 39.04 1a5j h ASN 98 CO -0.61 -0.23 0.87 -0.74 -0.37 0.00 0.00 177.43 176.35 1a5j h HIS 99 N -0.28 0.00 0.15 0.67 2.76 0.27 0.95 115.15 119.67 1a5j h HIS 99 Ca 0.06 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1a5j h HIS 99 Cb 0.35 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1a5j h HIS 99 CO -0.23 0.00 -0.07 2.35 -1.30 0.00 0.00 177.93 178.68 1a5j h TRP 100 N 0.00 -0.19 0.00 5.26 -0.00 0.28 -2.39 115.95 118.92 1a5j h TRP 100 Ca 0.38 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.27 1a5j h TRP 100 Cb 2.11 0.06 0.00 0.00 -0.00 0.00 0.00 29.16 31.34 1a5j h TRP 100 CO 0.00 -0.12 0.00 0.09 -0.00 0.00 0.00 178.44 178.41 1a5j n ASN 101 N -2.65 0.00 0.00 2.65 3.02 0.19 -1.00 115.26 117.47 1a5j n ASN 101 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1a5j n ASN 101 Cb 0.08 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.18 0.00 0.00 6.41 7.64 0.31 -4.72 113.62 122.08 1a5j n SER 102 Ca 0.08 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.13 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 -0.47 0.00 -0.30 0.44 -1.04 -0.97 -4.65 114.28 107.29 1a5j n THR 103 Ca 0.00 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.05 61.59 1a5j n THR 103 Cb 0.00 0.81 0.09 0.00 -1.82 0.00 0.00 70.33 69.41 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 -0.94 2.28 -3.64 12.58 5.41 -0.58 -4.73 119.36 129.74 1a5j n ILE 104 Ca 0.00 -1.13 -0.13 0.00 1.00 0.00 0.00 62.75 62.49 1a5j n ILE 104 Cb 0.00 -0.79 -0.12 0.00 -0.71 0.00 0.00 39.64 38.02 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 -1.82 0.18 0.00 0.38 -0.14 -0.17 -4.67 119.74 113.51 1a5j s LYS 105 Ca 0.31 0.74 0.00 0.00 -1.36 0.00 0.00 55.97 55.66 1a5j s LYS 105 Cb 0.26 -0.08 0.00 0.00 -1.68 0.00 0.00 37.83 36.33 1a5j s LYS 105 CO 0.05 -0.32 0.14 0.54 -0.76 0.00 0.00 175.35 175.00 1a5j n ARG 106 N 5.35 0.00 -1.76 1.68 3.00 -1.26 -4.35 116.66 119.31 1a5j n ARG 106 Ca -0.06 0.44 -0.32 0.00 -0.01 0.00 0.00 57.85 57.90 1a5j n ARG 106 Cb 0.50 -1.02 -0.06 0.00 0.00 0.00 0.00 32.46 31.88 1a5j n ARG 106 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1a5j n LYS 107 N -1.83 1.50 0.02 5.56 4.81 -1.26 -3.43 118.16 123.52 1a5j n LYS 107 Ca 0.00 -2.25 0.00 0.00 -0.87 0.00 0.00 58.31 55.19 1a5j n LYS 107 Cb 0.00 -3.48 0.00 0.00 0.02 0.00 0.00 35.03 31.57 1a5j n LYS 107 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1a5j n VAL 108 N 7.33 0.00 -3.64 3.15 3.14 -1.26 -5.07 118.33 121.97 1a5j n VAL 108 Ca 0.46 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.59 1a5j n VAL 108 Cb 0.45 -0.25 0.01 0.00 -1.06 0.00 0.00 33.84 32.99 1a5j n VAL 108 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1a5j n ASP 109 N -2.60 -4.46 0.00 6.55 2.03 -1.22 -5.19 116.55 111.66 1a5j n ASP 109 Ca 0.00 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.52 1a5j n ASP 109 Cb 0.00 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 38.95 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69