#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 3.74 -2.00 -0.61 -5.25 -1.26 -4.99 121.20 110.83 1a5j s ILE 2 Ca 0.00 -0.88 0.18 0.00 -0.99 0.00 0.00 60.65 58.97 1a5j s ILE 2 Cb 0.00 -2.68 0.52 0.00 2.95 0.00 0.00 42.46 43.25 1a5j s ILE 2 CO 0.00 0.29 1.55 -0.81 -1.79 0.00 0.00 174.94 174.18 1a5j n PRO 3 N 1.20 0.75 -4.27 0.37 -0.04 -1.26 -4.56 135.00 127.20 1a5j n PRO 3 Ca -0.14 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.16 1a5j n PRO 3 Cb 0.52 -1.38 -0.10 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.82 2.01 -0.18 3.54 2.15 -1.26 -4.70 116.67 116.40 1a5j s ASP 4 Ca 0.28 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.31 1a5j s ASP 4 Cb 0.13 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.69 1a5j s ASP 4 CO 0.21 -0.24 0.00 0.18 -0.17 0.00 0.00 175.17 175.15 1a5j n LEU 5 N -0.00 0.23 0.00 -1.34 4.77 -1.26 -4.93 117.00 114.46 1a5j n LEU 5 Ca -0.11 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1a5j n LEU 5 Cb 0.59 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1a5j n LEU 5 CO 0.31 -0.44 0.00 0.52 -1.33 0.00 0.00 177.39 176.45 1a5j n VAL 6 N -2.60 0.00 -2.29 4.08 0.31 -1.26 -4.39 118.33 112.18 1a5j n VAL 6 Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1a5j n VAL 6 Cb 0.23 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.16 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 -2.77 0.00 5.55 4.76 -1.26 -3.78 118.16 120.67 1a5j n LYS 7 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1a5j n LYS 7 Cb 0.00 -4.00 0.00 0.00 -1.84 0.00 0.00 35.03 29.19 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 -0.45 0.61 3.69 0.72 0.00 -1.26 -5.11 105.19 103.40 1a5j n GLY 8 Ca 0.00 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 4.38 0.15 1.61 0.04 -1.25 -4.99 135.00 134.94 1a5j s PRO 9 Ca 0.00 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 1a5j s PRO 9 Cb 0.00 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 30.96 1a5j s PRO 9 CO 0.00 -0.39 1.24 -1.58 0.04 0.00 0.00 177.00 176.31 1a5j s TRP 10 N 1.88 3.38 0.00 0.56 0.52 -1.26 -5.01 118.94 119.01 1a5j s TRP 10 Ca 0.57 1.30 0.00 0.00 0.02 0.00 0.00 56.10 57.99 1a5j s TRP 10 Cb -0.26 -3.49 0.00 0.00 -1.15 0.00 0.00 33.47 28.57 1a5j s TRP 10 CO 0.24 -1.49 0.00 0.25 0.02 0.00 0.00 176.95 175.97 1a5j n THR 11 N 3.07 0.00 -0.13 2.01 -2.24 -1.26 -4.92 114.28 110.81 1a5j n THR 11 Ca 0.07 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1a5j n THR 11 Cb 0.44 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.31 -0.98 -0.78 3.11 -1.98 0.51 116.57 116.14 1a5j h LYS 12 Ca 0.00 0.02 0.32 0.00 -2.81 0.00 0.00 60.65 58.18 1a5j h LYS 12 Cb 0.00 0.07 -0.15 0.00 -1.00 0.00 0.00 32.23 31.15 1a5j h LYS 12 CO 0.00 -0.21 0.48 1.49 -2.81 0.00 0.00 179.45 178.40 1a5j h GLU 13 N -0.32 0.24 -0.34 1.90 4.81 -1.98 0.90 114.58 119.79 1a5j h GLU 13 Ca 0.07 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1a5j h GLU 13 Cb 0.50 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1a5j h GLU 13 CO -0.52 0.16 -0.06 0.93 -0.73 0.00 0.00 179.01 178.78 1a5j h GLU 14 N 0.25 0.65 0.92 1.92 3.07 -0.58 -2.64 114.58 118.16 1a5j h GLU 14 Ca 0.71 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 59.28 1a5j h GLU 14 Cb 1.62 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 29.50 1a5j h GLU 14 CO -0.65 0.81 -0.44 -0.44 -1.40 0.00 0.00 179.01 176.88 1a5j h ASP 15 N 0.44 -1.05 -0.77 1.42 5.19 0.48 -1.96 116.42 120.17 1a5j h ASP 15 Ca 0.09 0.04 0.22 0.00 -0.62 0.00 0.00 57.03 56.76 1a5j h ASP 15 Cb 0.56 0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.31 1a5j h ASP 15 CO 0.03 -0.71 0.90 0.06 -3.12 0.00 0.00 179.24 176.39 1a5j h GLN 16 N -1.31 0.00 0.54 3.56 -0.00 -0.29 0.41 115.11 118.02 1a5j h GLN 16 Ca -0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.50 1a5j h GLN 16 Cb 0.95 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.44 1a5j h GLN 16 CO 0.21 0.00 -0.26 -0.22 -0.00 0.00 0.00 178.83 178.56 1a5j h LYS 17 N 0.00 -0.70 -0.75 0.06 3.64 -0.97 -1.42 116.57 116.43 1a5j h LYS 17 Ca 0.37 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.92 1a5j h LYS 17 Cb 2.15 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 34.00 1a5j h LYS 17 CO -0.00 -0.40 -0.32 0.28 -2.27 0.00 0.00 179.45 176.74 1a5j h VAL 18 N -0.93 0.13 -0.56 2.00 2.07 -0.05 2.22 116.25 121.11 1a5j h VAL 18 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1a5j h VAL 18 Cb 0.62 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1a5j h VAL 18 CO 0.12 0.00 0.38 0.40 0.02 0.00 0.00 177.57 178.49 1a5j h ILE 19 N -0.08 0.91 0.00 4.57 5.03 -1.44 0.59 117.51 127.09 1a5j h ILE 19 Ca 0.30 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.90 1a5j h ILE 19 Cb 0.57 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 34.84 1a5j h ILE 19 CO -0.80 0.07 -0.23 -0.08 -0.68 0.00 0.00 178.15 176.43 1a5j h GLU 20 N 0.40 0.00 0.09 2.37 4.81 0.40 -2.53 114.58 120.11 1a5j h GLU 20 Ca 0.26 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.30 1a5j h GLU 20 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1a5j h GLU 20 CO -0.07 0.00 -0.95 -0.07 -0.73 0.00 0.00 179.01 177.19 1a5j h LEU 21 N 0.00 0.30 -0.99 1.64 3.38 0.73 -2.35 115.31 118.01 1a5j h LEU 21 Ca 0.00 -0.87 -0.09 0.00 0.09 0.00 0.00 57.88 57.01 1a5j h LEU 21 Cb 0.81 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1a5j h LEU 21 CO 0.00 1.42 -0.27 0.58 0.09 0.00 0.00 178.44 180.26 1a5j h VAL 22 N -0.53 1.26 -0.18 1.22 2.07 -0.52 1.33 116.25 120.90 1a5j h VAL 22 Ca -0.20 -1.27 -0.16 0.00 0.82 0.00 0.00 66.70 65.89 1a5j h VAL 22 Cb 1.53 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1a5j h VAL 22 CO 0.05 0.40 -0.55 0.07 0.02 0.00 0.00 177.57 177.55 1a5j h LYS 23 N 0.35 0.55 0.00 1.57 5.09 -1.56 1.54 116.57 124.12 1a5j h LYS 23 Ca 0.05 -0.35 -0.16 0.00 0.09 0.00 0.00 60.65 60.29 1a5j h LYS 23 Cb 0.67 0.04 -0.02 0.00 0.10 0.00 0.00 32.23 33.01 1a5j h LYS 23 CO 0.05 0.95 -0.88 -0.22 -2.09 0.00 0.00 179.45 177.26 1a5j h LYS 24 N 0.42 0.00 0.00 0.07 3.11 -0.94 -3.36 116.57 115.87 1a5j h LYS 24 Ca 0.01 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 1a5j h LYS 24 Cb 1.10 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.32 1a5j h LYS 24 CO 0.10 0.58 -0.41 1.88 -2.81 0.00 0.00 179.45 178.79 1a5j h TYR 25 N 0.00 0.00 -5.21 1.91 -1.99 0.19 -3.51 116.97 108.36 1a5j h TYR 25 Ca -0.06 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.68 1a5j h TYR 25 Cb 1.56 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 40.19 1a5j h TYR 25 CO 0.00 0.60 -1.32 0.41 -0.00 0.00 0.00 178.16 177.85 1a5j n GLY 26 N 1.62 -4.36 0.00 3.88 0.00 0.53 -4.90 105.19 101.95 1a5j n GLY 26 Ca -0.12 1.40 0.00 0.00 0.00 0.00 0.00 46.02 47.31 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 1.71 0.00 0.00 2.61 5.66 -1.26 -5.05 114.28 117.96 1a5j n THR 27 Ca -0.32 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1a5j n THR 27 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 -4.33 1.09 5.02 -1.26 -5.03 118.16 113.65 1a5j n LYS 28 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1a5j n LYS 28 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1a5j n LYS 28 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1a5j n GLN 29 N 0.00 -1.00 0.00 1.97 6.02 -1.26 -4.72 117.38 118.39 1a5j n GLN 29 Ca 0.00 0.11 0.06 0.00 -0.01 0.00 0.00 57.00 57.16 1a5j n GLN 29 Cb 0.00 -3.72 0.29 0.00 1.02 0.00 0.00 30.24 27.83 1a5j n GLN 29 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1a5j n TRP 30 N -4.53 0.00 0.09 1.08 7.02 -1.26 -1.84 117.44 118.00 1a5j n TRP 30 Ca -0.29 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.00 1a5j n TRP 30 Cb 0.68 -0.44 -0.12 0.00 -2.42 0.00 0.00 31.31 29.01 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 1.36 0.47 -0.99 1.03 -1.97 -3.22 112.91 109.58 1a5j h THR 31 Ca 0.00 -2.61 -0.02 0.00 -0.01 0.00 0.00 66.41 63.77 1a5j h THR 31 Cb 0.19 2.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 1a5j h THR 31 CO 0.00 0.78 -0.23 0.17 -0.01 0.00 0.00 175.52 176.23 1a5j h LEU 32 N 0.21 -0.54 -0.92 0.00 8.10 -1.72 0.62 115.31 121.06 1a5j h LEU 32 Ca -0.16 -0.06 0.08 0.00 0.11 0.00 0.00 57.88 57.85 1a5j h LEU 32 Cb 1.88 0.14 -0.11 0.00 -0.44 0.00 0.00 40.66 42.13 1a5j h LEU 32 CO 0.22 -0.25 -0.54 -0.38 -4.11 0.00 0.00 178.44 173.38 1a5j n ILE 33 N -5.29 -0.63 0.24 0.15 -0.00 -1.21 0.36 119.36 112.99 1a5j n ILE 33 Ca -0.11 2.30 -0.10 0.00 -0.00 0.00 0.00 62.75 64.84 1a5j n ILE 33 Cb 0.30 -2.84 -0.05 0.00 -0.00 0.00 0.00 39.64 37.05 1a5j n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a5j h ALA 34 N 0.41 -1.00 -0.95 -1.39 0.00 -1.55 1.60 119.26 116.38 1a5j h ALA 34 Ca 0.15 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.20 1a5j h ALA 34 Cb 0.38 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1a5j h ALA 34 CO -0.86 -0.95 1.02 -0.22 0.00 0.00 0.00 179.25 178.24 1a5j h LYS 35 N -0.73 0.00 0.00 0.00 3.11 0.11 0.26 116.57 119.32 1a5j h LYS 35 Ca -0.06 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.72 1a5j h LYS 35 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 1a5j h LYS 35 CO 0.11 0.00 -0.54 0.45 -2.81 0.00 0.00 179.45 176.65 1a5j h HIS 36 N 0.00 0.00 -3.52 1.91 3.86 0.69 -3.46 115.15 114.63 1a5j h HIS 36 Ca 0.45 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 59.01 1a5j h HIS 36 Cb 2.49 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 30.73 1a5j h HIS 36 CO 0.00 0.43 -0.65 -0.51 0.86 0.00 0.00 177.93 178.05 1a5j s LEU 37 N -8.20 3.28 0.00 2.43 1.43 0.54 -4.89 118.68 113.27 1a5j s LEU 37 Ca -0.16 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1a5j s LEU 37 Cb 0.02 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1a5j s LEU 37 CO 0.30 0.00 0.00 0.29 0.23 0.00 0.00 176.35 177.18 1a5j n LYS 38 N 4.66 0.00 0.21 1.70 4.76 -1.23 -4.08 118.16 124.18 1a5j n LYS 38 Ca -0.17 0.46 0.13 0.00 -2.87 0.00 0.00 58.31 55.86 1a5j n LYS 38 Cb 0.51 -0.09 0.70 0.00 -1.84 0.00 0.00 35.03 34.32 1a5j n LYS 38 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1a5j h GLY 39 N 0.00 0.00 0.00 0.72 0.00 -1.90 -3.38 103.07 98.50 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 -2.44 2.70 0.09 4.80 3.00 -1.26 -4.92 116.66 118.63 1a5j n ARG 40 Ca -0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.92 1a5j n ARG 40 Cb 0.11 0.00 0.40 0.00 0.00 0.00 0.00 32.46 32.97 1a5j n ARG 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1a5j n LEU 41 N 0.00 0.39 0.00 6.15 7.99 -1.26 -4.34 117.00 125.93 1a5j n LEU 41 Ca 0.00 0.64 0.00 0.00 -0.01 0.00 0.00 56.01 56.64 1a5j n LEU 41 Cb 0.00 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 42.68 1a5j n LEU 41 CO 0.00 -0.62 0.00 0.61 -1.51 0.00 0.00 177.39 175.87 1a5j n GLY 42 N -0.70 0.37 2.53 -0.72 0.00 -1.26 -4.47 105.19 100.95 1a5j n GLY 42 Ca 0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 0.81 -1.76 1.61 3.00 -1.26 -4.91 118.16 115.65 1a5j n LYS 43 Ca 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 58.31 57.16 1a5j n LYS 43 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.11 1a5j n LYS 43 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1a5j n GLN 44 N -0.72 0.00 -0.27 1.64 -0.06 -1.26 -5.05 117.38 111.66 1a5j n GLN 44 Ca -0.13 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.59 1a5j n GLN 44 Cb 0.76 -2.08 0.27 0.00 -4.06 0.00 0.00 30.24 25.13 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1a5j n ARG 46 N -5.20 0.00 -1.56 0.00 1.74 -1.26 -4.76 116.66 105.61 1a5j n ARG 46 Ca 0.13 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.94 1a5j n ARG 46 Cb 0.56 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.90 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 0.00 0.77 0.00 5.56 2.13 -1.22 0.39 120.64 128.27 1a5j n GLU 47 Ca 0.00 -1.90 0.00 0.00 0.66 0.00 0.00 57.16 55.92 1a5j n GLU 47 Cb 0.00 -3.57 0.00 0.00 0.27 0.00 0.00 31.44 28.14 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 8.05 0.00 0.00 5.31 3.00 -1.26 -4.92 116.66 126.83 1a5j n ARG 48 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 1a5j n ARG 48 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 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 0.00 0.00 -0.14 4.27 -1.01 -4.32 117.44 116.24 1a5j n TRP 49 Ca 0.00 -0.03 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1a5j n TRP 49 Cb 0.00 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1a5j n TRP 49 CO 0.00 0.00 0.00 1.58 -2.29 0.00 0.00 177.69 176.98 1a5j n HIS 50 N -0.03 0.00 -1.59 -2.67 -0.00 0.16 -4.74 115.22 106.35 1a5j n HIS 50 Ca 0.00 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.85 1a5j n HIS 50 Cb 0.09 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 30.02 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 -1.87 7.00 0.00 0.26 3.02 -1.08 -4.59 115.26 118.00 1a5j n ASN 51 Ca 0.00 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 1a5j n ASN 51 Cb 0.00 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 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 -0.81 0.00 -1.13 3.10 -0.00 -1.26 -4.72 115.22 110.40 1a5j n HIS 52 Ca 0.57 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.75 1a5j n HIS 52 Cb 0.67 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.54 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 -2.24 -1.65 -4.18 0.27 0.00 -1.26 -4.86 117.00 103.08 1a5j n LEU 53 Ca 0.00 2.13 -0.36 0.00 0.00 0.00 0.00 56.01 57.78 1a5j n LEU 53 Cb 0.00 -1.88 0.05 0.00 0.00 0.00 0.00 43.42 41.59 1a5j n LEU 53 CO 0.00 0.02 -0.80 -0.46 0.00 0.00 0.00 177.39 176.15 1a5j n ASN 54 N -1.38 -4.24 -3.25 1.96 0.23 -1.26 -4.97 115.26 102.34 1a5j n ASN 54 Ca 0.00 0.38 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 1a5j n ASN 54 Cb 0.11 -0.90 0.00 0.00 -2.08 0.00 0.00 39.78 36.91 1a5j n ASN 54 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1a5j n PRO 55 N 1.27 1.50 -1.56 -0.53 -0.04 -1.26 -5.12 135.00 129.27 1a5j n PRO 55 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1a5j n PRO 55 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 1.31 -0.90 0.54 2.13 -1.26 -5.02 120.64 117.44 1a5j n GLU 56 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1a5j n GLU 56 Cb 0.00 0.00 0.14 0.00 0.27 0.00 0.00 31.44 31.85 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 2.62 -2.68 6.31 0.31 -1.26 -4.95 118.33 118.67 1a5j n VAL 57 Ca 0.00 -1.41 0.00 0.00 -0.01 0.00 0.00 64.34 62.92 1a5j n VAL 57 Cb 0.00 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1a5j n VAL 57 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1a5j n LYS 58 N -0.70 -0.49 -0.14 5.55 2.85 -1.26 -4.57 118.16 119.39 1a5j n LYS 58 Ca 0.44 0.76 0.02 0.00 -1.05 0.00 0.00 58.31 58.48 1a5j n LYS 58 Cb 1.36 -0.77 -0.00 0.00 -0.65 0.00 0.00 35.03 34.97 1a5j n LYS 58 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1a5j n LYS 59 N 1.53 -0.29 0.00 -1.58 3.00 -1.26 -4.61 118.16 114.95 1a5j n LYS 59 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1a5j n LYS 59 Cb 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 35.03 34.96 1a5j n LYS 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1a5j n SER 60 N -0.71 0.00 0.00 3.14 3.41 -1.26 -4.76 113.62 113.43 1a5j n SER 60 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a5j n SER 60 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.00 0.00 -3.80 4.04 3.41 -1.26 -4.55 113.62 111.46 1a5j n SER 61 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1a5j n SER 61 Cb 0.00 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.00 0.07 0.00 7.33 0.52 -1.26 -5.06 118.94 120.54 1a5j s TRP 62 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 56.10 56.88 1a5j s TRP 62 Cb 0.00 -2.99 0.00 0.00 -1.15 0.00 0.00 33.47 29.33 1a5j s TRP 62 CO 0.00 -4.59 0.00 0.25 0.02 0.00 0.00 176.95 172.63 1a5j n THR 63 N -5.37 0.00 0.00 2.01 -2.24 -1.26 -4.60 114.28 102.81 1a5j n THR 63 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1a5j n THR 63 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1a5j n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a5j n GLU 64 N 0.00 0.00 -0.44 -0.78 -0.58 -1.26 -2.70 120.64 114.88 1a5j n GLU 64 Ca 0.00 0.00 0.38 0.00 -0.42 0.00 0.00 57.16 57.12 1a5j n GLU 64 Cb 0.00 -0.44 0.70 0.00 -0.57 0.00 0.00 31.44 31.13 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 0.09 -0.58 3.49 5.08 -1.99 1.56 114.58 122.22 1a5j h GLU 65 Ca 0.00 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1a5j h GLU 65 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1a5j h GLU 65 CO 0.00 0.06 -0.02 0.93 -1.00 0.00 0.00 179.01 178.97 1a5j h GLU 66 N 0.09 1.03 -0.06 2.33 5.08 -1.98 0.12 114.58 121.17 1a5j h GLU 66 Ca 0.72 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1a5j h GLU 66 Cb 2.57 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.73 1a5j h GLU 66 CO -0.16 1.02 -0.02 0.22 -1.00 0.00 0.00 179.01 179.06 1a5j h ASP 67 N 0.94 0.13 0.68 1.42 3.58 0.24 -2.75 116.42 120.65 1a5j h ASP 67 Ca 0.16 -0.40 -0.03 0.00 0.42 0.00 0.00 57.03 57.19 1a5j h ASP 67 Cb 0.57 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 1a5j h ASP 67 CO 0.03 0.50 -0.40 0.03 -2.88 0.00 0.00 179.24 176.53 1a5j h ARG 68 N -0.24 -0.96 -0.06 0.28 3.08 -1.07 0.24 114.38 115.65 1a5j h ARG 68 Ca 0.02 0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1a5j h ARG 68 Cb 0.45 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1a5j h ARG 68 CO 0.01 -0.64 -0.04 -0.89 -1.07 0.00 0.00 179.97 177.34 1a5j n ILE 69 N -4.92 -0.04 -0.20 2.04 5.41 0.39 0.20 119.36 122.24 1a5j n ILE 69 Ca -0.12 1.38 -0.01 0.00 1.00 0.00 0.00 62.75 65.00 1a5j n ILE 69 Cb 0.41 -1.82 0.07 0.00 -0.71 0.00 0.00 39.64 37.59 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 0.43 0.00 1.39 2.04 -1.49 2.10 117.51 121.98 1a5j h ILE 70 Ca 0.01 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1a5j h ILE 70 Cb 0.02 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1a5j h ILE 70 CO -0.06 0.00 0.00 0.33 0.00 0.00 0.00 178.15 178.43 1a5j n PHE 71 N -5.38 0.75 -1.25 1.37 7.35 0.17 -0.78 117.46 119.69 1a5j n PHE 71 Ca 0.07 0.38 0.07 0.00 -0.76 0.00 0.00 57.45 57.20 1a5j n PHE 71 Cb 0.32 -1.10 0.09 0.00 0.35 0.00 0.00 39.48 39.14 1a5j n PHE 71 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1a5j n GLU 72 N -2.26 1.02 -0.01 -4.13 -0.58 0.52 -4.64 120.64 110.57 1a5j n GLU 72 Ca -0.01 -2.06 -0.01 0.00 -0.42 0.00 0.00 57.16 54.67 1a5j n GLU 72 Cb 0.06 -1.19 -0.03 0.00 -0.57 0.00 0.00 31.44 29.71 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a5j n ALA 73 N -0.98 1.99 0.25 0.62 0.00 0.59 -4.46 120.51 118.52 1a5j n ALA 73 Ca 0.11 -0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1a5j n ALA 73 Cb 0.63 0.08 0.27 0.00 0.00 0.00 0.00 19.45 20.43 1a5j n ALA 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a5j h HIS 74 N 0.00 0.00 -0.57 0.00 -0.00 -1.53 -1.51 115.15 111.54 1a5j h HIS 74 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1a5j h HIS 74 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 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 -3.06 4.30 0.00 5.26 2.85 -1.26 -3.60 118.16 122.65 1a5j n LYS 75 Ca 0.03 -3.03 0.00 0.00 -1.05 0.00 0.00 58.31 54.26 1a5j n LYS 75 Cb 0.49 -2.09 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 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 -1.08 -4.99 118.33 113.83 1a5j n VAL 76 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1a5j n VAL 76 Cb 1.06 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 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 -2.21 0.00 0.00 7.52 4.32 -0.59 -5.10 117.00 120.94 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 0.33 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1a5j n LEU 77 CO 0.00 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 176.62 1a5j n GLY 78 N 2.99 -0.66 1.48 -0.72 0.00 -1.24 -4.92 105.19 102.13 1a5j n GLY 78 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 4.38 -2.74 1.61 6.94 -1.26 -4.42 115.26 119.77 1a5j n ASN 79 Ca 0.00 -2.54 -0.13 0.00 -0.02 0.00 0.00 54.58 51.89 1a5j n ASN 79 Cb 0.00 -0.58 -0.05 0.00 -2.36 0.00 0.00 39.78 36.79 1a5j n ASN 79 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 1a5j n ARG 80 N 0.71 1.41 -0.37 -3.83 0.00 -1.26 -4.50 116.66 108.81 1a5j n ARG 80 Ca 0.22 -0.93 0.31 0.00 -0.00 0.00 0.00 57.85 57.44 1a5j n ARG 80 Cb 0.88 -2.09 0.62 0.00 -0.00 0.00 0.00 32.46 31.87 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 5.63 0.42 0.00 2.89 4.06 -1.89 2.46 115.95 129.52 1a5j h TRP 81 Ca 0.27 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.24 1a5j h TRP 81 Cb 0.41 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 1a5j h TRP 81 CO 1.70 -0.02 0.30 0.00 -3.56 0.00 0.00 178.44 176.86 1a5j h ALA 82 N 1.53 1.25 0.00 1.49 0.00 -1.87 -1.08 119.26 120.59 1a5j h ALA 82 Ca 0.66 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.34 1a5j h ALA 82 Cb 2.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 1a5j h ALA 82 CO -0.24 -0.25 -1.79 0.39 0.00 0.00 0.00 179.25 177.36 1a5j n GLU 83 N -2.40 0.33 -0.30 0.00 -0.58 0.82 -4.13 120.64 114.37 1a5j n GLU 83 Ca -0.01 0.10 0.13 0.00 -0.42 0.00 0.00 57.16 56.96 1a5j n GLU 83 Cb 0.34 -1.17 0.28 0.00 -0.57 0.00 0.00 31.44 30.32 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 -0.22 0.24 -0.25 -3.67 1.08 -0.17 0.69 117.51 115.21 1a5j h ILE 84 Ca -0.33 -0.05 -0.07 0.00 -0.39 0.00 0.00 64.86 64.02 1a5j h ILE 84 Cb 1.41 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 1a5j h ILE 84 CO -0.12 0.03 -0.12 0.00 -0.69 0.00 0.00 178.15 177.25 1a5j h ALA 85 N 1.82 0.34 -1.33 1.87 0.00 -1.51 -2.58 119.26 117.89 1a5j h ALA 85 Ca 0.55 -0.30 0.39 0.00 0.00 0.00 0.00 54.91 55.54 1a5j h ALA 85 Cb 1.12 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1a5j h ALA 85 CO -0.72 0.20 0.93 0.87 0.00 0.00 0.00 179.25 180.53 1a5j h LYS 86 N 0.23 0.08 0.04 0.00 1.57 0.17 1.61 116.57 120.27 1a5j h LYS 86 Ca 0.06 -0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.56 1a5j h LYS 86 Cb 0.62 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.93 1a5j h LYS 86 CO 0.04 0.05 -1.10 -0.07 -0.57 0.00 0.00 179.45 177.79 1a5j h LEU 87 N 0.08 0.85 -7.99 2.94 4.07 -0.80 -3.40 115.31 111.06 1a5j h LEU 87 Ca 0.67 -0.72 -0.72 0.00 0.08 0.00 0.00 57.88 57.20 1a5j h LEU 87 Cb 2.46 -0.26 -0.30 0.00 1.08 0.00 0.00 40.66 43.64 1a5j h LEU 87 CO -0.11 1.52 -0.46 -0.76 -1.08 0.00 0.00 178.44 177.55 1a5j s LEU 88 N -7.97 5.38 -0.11 1.67 1.02 0.55 -5.06 118.68 114.15 1a5j s LEU 88 Ca -0.09 -1.77 -0.30 0.00 0.02 0.00 0.00 54.13 51.99 1a5j s LEU 88 Cb 0.07 -1.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.29 1a5j s LEU 88 CO 0.92 -0.60 1.25 -2.16 0.02 0.00 0.00 176.35 175.78 1a5j s PRO 89 N 1.34 4.28 0.00 1.29 0.04 -1.22 -3.55 135.00 137.18 1a5j s PRO 89 Ca 0.05 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1a5j s PRO 89 Cb -0.24 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1a5j s PRO 89 CO -0.00 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1a5j n GLY 90 N 3.52 1.36 3.44 0.56 0.00 -1.26 -5.12 105.19 107.69 1a5j n GLY 90 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1a5j n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5j s ARG 91 N 0.00 1.59 0.02 1.61 1.81 -1.23 -5.15 118.95 117.59 1a5j s ARG 91 Ca 0.00 -1.52 0.00 0.00 -1.72 0.00 0.00 55.73 52.49 1a5j s ARG 91 Cb 0.00 -1.87 0.00 0.00 -0.45 0.00 0.00 34.95 32.63 1a5j s ARG 91 CO 0.00 0.40 0.02 0.25 -0.68 0.00 0.00 175.30 175.29 1a5j n THR 92 N 0.15 0.00 -0.03 0.02 -2.24 -1.26 -4.74 114.28 106.18 1a5j n THR 92 Ca -0.12 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 1a5j n THR 92 Cb 0.56 -1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.01 0.23 0.18 3.42 2.03 -1.93 -2.81 116.42 117.54 1a5j h ASP 93 Ca -0.01 -0.67 0.00 0.00 -0.73 0.00 0.00 57.03 55.62 1a5j h ASP 93 Cb 0.03 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 1a5j h ASP 93 CO 0.01 0.87 0.00 0.59 -1.03 0.00 0.00 179.24 179.67 1a5j n ASN 94 N -4.56 0.51 0.00 4.15 3.02 -1.26 -0.55 115.26 116.56 1a5j n ASN 94 Ca -0.09 0.70 -0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1a5j n ASN 94 Cb 0.44 -0.78 -0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 2.08 -0.12 -0.19 5.41 0.00 -1.88 -3.00 119.26 121.55 1a5j h ALA 95 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1a5j h ALA 95 Cb 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1a5j h ALA 95 CO 0.00 -0.12 -0.08 0.28 0.00 0.00 0.00 179.25 179.33 1a5j h VAL 96 N -0.15 0.73 0.00 0.00 2.07 -1.32 0.40 116.25 117.97 1a5j h VAL 96 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1a5j h VAL 96 Cb 0.02 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1a5j h VAL 96 CO 0.00 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.76 1a5j n LYS 97 N -5.23 0.00 -0.10 1.57 4.81 0.28 0.18 118.16 119.67 1a5j n LYS 97 Ca -0.02 0.91 -0.06 0.00 -0.87 0.00 0.00 58.31 58.28 1a5j n LYS 97 Cb 0.16 -1.47 0.01 0.00 0.02 0.00 0.00 35.03 33.74 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 -0.43 -1.48 3.14 -0.73 -1.37 0.40 115.58 115.11 1a5j h ASN 98 Ca 0.00 0.12 0.43 0.00 1.87 0.00 0.00 56.30 58.72 1a5j h ASN 98 Cb 0.00 0.26 -0.06 0.00 0.27 0.00 0.00 38.32 38.79 1a5j h ASN 98 CO 0.00 -0.16 1.10 -0.74 -0.37 0.00 0.00 177.43 177.26 1a5j h HIS 99 N -0.05 0.00 0.46 0.67 2.76 0.14 1.00 115.15 120.12 1a5j h HIS 99 Ca 0.18 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1a5j h HIS 99 Cb 0.32 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.28 1a5j h HIS 99 CO -0.35 0.00 -0.24 2.35 -1.30 0.00 0.00 177.93 178.39 1a5j h TRP 100 N 0.00 -0.63 0.00 5.26 -0.00 0.41 -1.43 115.95 119.56 1a5j h TRP 100 Ca 0.70 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.58 1a5j h TRP 100 Cb 2.89 0.21 0.00 0.00 -0.00 0.00 0.00 29.16 32.27 1a5j h TRP 100 CO 0.00 -0.38 0.00 0.09 -0.00 0.00 0.00 178.44 178.15 1a5j n ASN 101 N -3.80 0.00 0.00 2.65 3.02 0.81 -0.53 115.26 117.40 1a5j n ASN 101 Ca -0.08 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1a5j n ASN 101 Cb 0.26 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1a5j n ASN 101 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1a5j n SER 102 N -1.19 0.00 -0.00 6.41 2.88 0.31 -4.57 113.62 117.46 1a5j n SER 102 Ca 0.12 0.32 0.02 0.00 -1.33 0.00 0.00 58.87 58.00 1a5j n SER 102 Cb 0.13 -0.17 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 1a5j n SER 102 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1a5j n THR 103 N -1.00 0.00 -0.05 2.46 -1.04 -0.62 -4.55 114.28 109.49 1a5j n THR 103 Ca 0.00 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.05 61.59 1a5j n THR 103 Cb 0.00 0.83 0.10 0.00 -1.82 0.00 0.00 70.33 69.44 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 -1.24 1.97 -3.04 12.58 2.08 0.31 -4.38 119.36 127.64 1a5j n ILE 104 Ca 0.00 -0.89 -0.12 0.00 0.56 0.00 0.00 62.75 62.30 1a5j n ILE 104 Cb 0.06 -0.70 -0.03 0.00 -0.75 0.00 0.00 39.64 38.22 1a5j n ILE 104 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1a5j s LYS 105 N -1.61 0.97 0.01 0.38 -0.14 -0.73 -4.63 119.74 113.99 1a5j s LYS 105 Ca 0.27 -1.34 -0.11 0.00 -1.36 0.00 0.00 55.97 53.43 1a5j s LYS 105 Cb 0.23 -0.54 -0.06 0.00 -1.68 0.00 0.00 37.83 35.78 1a5j s LYS 105 CO 0.06 -1.33 0.97 0.07 -0.76 0.00 0.00 175.35 174.35 1a5j h ARG 106 N 5.49 -0.39 -6.42 1.68 -0.00 -1.91 -3.39 114.38 109.43 1a5j h ARG 106 Ca 0.13 0.03 -0.54 0.00 -0.00 0.00 0.00 59.98 59.59 1a5j h ARG 106 Cb 1.05 0.09 -0.07 0.00 -0.00 0.00 0.00 29.97 31.04 1a5j h ARG 106 CO 0.15 -0.26 1.08 0.21 -0.00 0.00 0.00 179.97 181.14 1a5j s LYS 107 N -3.52 3.31 0.00 0.08 2.20 -1.26 -4.65 119.74 115.90 1a5j s LYS 107 Ca -0.06 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1a5j s LYS 107 Cb 0.01 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 1a5j s LYS 107 CO 0.18 -1.94 0.00 0.28 -0.36 0.00 0.00 175.35 173.51 1a5j n VAL 108 N 6.75 0.00 0.35 4.02 0.31 -1.26 -4.74 118.33 123.76 1a5j n VAL 108 Ca 0.10 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.48 1a5j n VAL 108 Cb 0.49 -1.02 0.19 0.00 -0.91 0.00 0.00 33.84 32.59 1a5j n VAL 108 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1a5j n ASP 109 N -2.74 2.84 0.00 4.52 9.92 -1.26 -5.26 116.55 124.57 1a5j n ASP 109 Ca 0.00 -2.29 0.00 0.00 -0.53 0.00 0.00 54.79 51.97 1a5j n ASP 109 Cb 0.28 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74