#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 -1.71 -0.09 -0.61 0.13 -1.26 -4.90 119.36 110.92 1a5j n ILE 2 Ca 0.00 -0.40 0.00 0.00 -1.10 0.00 0.00 62.75 61.25 1a5j n ILE 2 Cb 0.00 -1.46 0.00 0.00 -0.84 0.00 0.00 39.64 37.34 1a5j n ILE 2 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 1a5j n PRO 3 N -3.76 0.82 -2.27 9.51 -0.04 -1.26 -4.55 135.00 133.44 1a5j n PRO 3 Ca -0.08 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.02 1a5j n PRO 3 Cb 0.38 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 5.87 0.00 3.54 2.15 -1.26 -2.29 116.67 123.43 1a5j s ASP 4 Ca 0.00 2.20 0.00 0.00 0.43 0.00 0.00 52.55 55.18 1a5j s ASP 4 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1a5j s ASP 4 CO 0.00 -1.12 0.00 0.18 -0.17 0.00 0.00 175.17 174.06 1a5j n LEU 5 N -1.06 0.49 -0.00 -1.34 4.77 -1.26 -4.70 117.00 113.90 1a5j n LEU 5 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1a5j n LEU 5 Cb 0.50 -1.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.31 1a5j n LEU 5 CO 0.43 -0.42 -0.53 0.52 -1.33 0.00 0.00 177.39 176.07 1a5j n VAL 6 N -2.36 0.04 1.45 4.08 0.31 -0.97 -4.34 118.33 116.53 1a5j n VAL 6 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1a5j n VAL 6 Cb 0.18 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 -1.80 0.97 -2.66 5.55 5.02 -1.09 -3.91 118.16 120.25 1a5j n LYS 7 Ca -0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 1a5j n LYS 7 Cb 0.29 -1.25 0.10 0.00 -0.02 0.00 0.00 35.03 34.15 1a5j n LYS 7 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a5j n GLY 8 N 0.24 -1.75 3.76 0.72 0.00 -1.26 -5.15 105.19 101.74 1a5j n GLY 8 Ca 0.00 0.99 -0.40 0.00 0.00 0.00 0.00 46.02 46.60 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 0.04 4.66 0.80 1.61 0.04 -1.25 -4.94 135.00 135.97 1a5j s PRO 9 Ca 0.23 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1a5j s PRO 9 Cb 0.26 -3.21 0.08 0.00 0.04 0.00 0.00 34.50 31.67 1a5j s PRO 9 CO -0.15 0.23 1.13 -1.58 0.04 0.00 0.00 177.00 176.68 1a5j s TRP 10 N -1.08 2.14 0.19 0.56 0.52 -1.26 -5.05 118.94 114.97 1a5j s TRP 10 Ca 0.44 1.65 -0.14 0.00 0.02 0.00 0.00 56.10 58.07 1a5j s TRP 10 Cb -0.31 -3.24 0.01 0.00 -1.15 0.00 0.00 33.47 28.78 1a5j s TRP 10 CO 0.40 -2.29 0.45 0.95 0.02 0.00 0.00 176.95 176.48 1a5j s THR 11 N -2.60 0.04 0.39 2.01 -4.23 -1.26 -4.99 115.64 104.99 1a5j s THR 11 Ca 0.66 -1.03 0.29 0.00 -1.18 0.00 0.00 61.69 60.43 1a5j s THR 11 Cb -0.21 -1.72 0.45 0.00 1.34 0.00 0.00 72.50 72.35 1a5j s THR 11 CO 0.53 -0.16 1.38 1.17 -0.54 0.00 0.00 174.62 177.00 1a5j n LYS 12 N -0.31 -0.03 -0.17 3.99 4.81 -1.26 0.27 118.16 125.47 1a5j n LYS 12 Ca -0.08 1.11 -0.02 0.00 -0.87 0.00 0.00 58.31 58.45 1a5j n LYS 12 Cb 0.62 -2.19 0.07 0.00 0.02 0.00 0.00 35.03 33.56 1a5j n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1a5j h GLU 13 N 0.00 0.28 -0.80 1.64 4.22 -1.97 0.83 114.58 118.79 1a5j h GLU 13 Ca 0.78 -0.02 0.10 0.00 0.08 0.00 0.00 59.36 60.30 1a5j h GLU 13 Cb 2.53 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 31.64 1a5j h GLU 13 CO -0.41 0.19 0.44 1.05 -2.18 0.00 0.00 179.01 178.10 1a5j h GLU 14 N 0.29 0.70 0.00 1.92 -0.00 0.35 0.22 114.58 118.06 1a5j h GLU 14 Ca 0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.58 1a5j h GLU 14 Cb 0.33 -0.16 0.00 0.00 -0.00 0.00 0.00 28.75 28.92 1a5j h GLU 14 CO -0.31 0.47 0.00 -0.25 -0.00 0.00 0.00 179.01 178.92 1a5j n ASP 15 N -4.79 0.00 -0.50 3.06 8.00 -0.27 -1.60 116.55 120.46 1a5j n ASP 15 Ca 0.13 0.48 0.39 0.00 0.71 0.00 0.00 54.79 56.50 1a5j n ASP 15 Cb 0.29 -0.36 0.61 0.00 -0.02 0.00 0.00 41.12 41.64 1a5j n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5j n GLN 16 N -1.59 -0.01 0.00 -1.24 -0.00 0.27 0.76 117.38 115.57 1a5j n GLN 16 Ca 0.00 0.91 0.00 0.00 -0.00 0.00 0.00 57.00 57.91 1a5j n GLN 16 Cb 0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 30.24 28.26 1a5j n GLN 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1a5j n LYS 17 N -3.80 0.00 -0.45 2.61 4.81 0.77 -1.40 118.16 120.70 1a5j n LYS 17 Ca 0.34 0.33 0.37 0.00 -0.87 0.00 0.00 58.31 58.49 1a5j n LYS 17 Cb 1.47 -0.98 0.65 0.00 0.02 0.00 0.00 35.03 36.20 1a5j n LYS 17 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1a5j h VAL 18 N 0.00 0.13 -0.12 3.15 2.07 0.23 1.67 116.25 123.39 1a5j h VAL 18 Ca 0.00 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1a5j h VAL 18 Cb 0.00 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1a5j h VAL 18 CO 0.00 0.02 0.01 0.40 0.02 0.00 0.00 177.57 178.01 1a5j h ILE 19 N 0.09 1.24 0.00 4.57 5.03 0.27 0.25 117.51 128.96 1a5j h ILE 19 Ca 0.81 -0.78 -0.03 0.00 -0.12 0.00 0.00 64.86 64.75 1a5j h ILE 19 Cb 2.58 1.53 -0.00 0.00 -3.03 0.00 0.00 36.82 37.90 1a5j h ILE 19 CO -0.40 0.22 -0.13 -0.08 -0.68 0.00 0.00 178.15 177.08 1a5j h GLU 20 N -0.05 0.00 0.10 2.37 4.81 0.35 -1.35 114.58 120.80 1a5j h GLU 20 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1a5j h GLU 20 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1a5j h GLU 20 CO 0.00 0.13 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.30 1a5j h LEU 21 N 0.00 -0.11 -2.33 1.64 3.38 0.10 -2.68 115.31 115.31 1a5j h LEU 21 Ca -0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1a5j h LEU 21 Cb 0.35 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1a5j h LEU 21 CO 0.02 0.50 0.21 0.58 0.09 0.00 0.00 178.44 179.84 1a5j h VAL 22 N -0.98 0.00 0.02 1.22 2.07 -0.36 1.64 116.25 119.86 1a5j h VAL 22 Ca -0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1a5j h VAL 22 Cb 0.42 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1a5j h VAL 22 CO 0.02 0.00 -0.44 0.11 0.02 0.00 0.00 177.57 177.28 1a5j h LYS 23 N 0.00 0.27 0.00 1.57 1.79 -1.22 1.37 116.57 120.35 1a5j h LYS 23 Ca 0.00 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1a5j h LYS 23 Cb 0.41 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1a5j h LYS 23 CO 0.00 1.04 -0.28 1.17 -1.08 0.00 0.00 179.45 180.30 1a5j n LYS 24 N -4.35 0.24 -0.10 3.15 0.00 0.53 -4.16 118.16 113.46 1a5j n LYS 24 Ca -0.11 0.13 -0.14 0.00 0.00 0.00 0.00 58.31 58.20 1a5j n LYS 24 Cb 0.61 -1.72 -0.05 0.00 0.00 0.00 0.00 35.03 33.87 1a5j n LYS 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a5j n TYR 25 N -2.10 0.21 -0.29 5.64 4.02 0.53 -5.03 117.16 120.14 1a5j n TYR 25 Ca 0.05 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1a5j n TYR 25 Cb 0.42 -0.71 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 1a5j n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a5j n GLY 26 N 1.43 0.00 1.50 2.72 0.00 0.47 -4.75 105.19 106.57 1a5j n GLY 26 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.69 0.00 0.00 2.61 5.66 -1.26 -5.01 114.28 116.97 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 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -2.86 0.00 -2.04 1.09 5.02 -1.26 -5.07 118.16 113.04 1a5j n LYS 28 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 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 2.45 0.00 1.97 -0.21 -1.26 -4.60 119.66 118.01 1a5j s GLN 29 Ca 0.00 -0.95 0.24 0.00 0.02 0.00 0.00 55.36 54.67 1a5j s GLN 29 Cb 0.00 -5.19 0.92 0.00 1.00 0.00 0.00 33.01 29.74 1a5j s GLN 29 CO 0.00 -3.92 1.66 0.91 -2.12 0.00 0.00 175.29 171.82 1a5j n TRP 30 N 14.53 0.10 -0.03 0.91 7.02 -1.26 -3.88 117.44 134.84 1a5j n TRP 30 Ca 0.44 -0.05 -0.15 0.00 -1.02 0.00 0.00 57.50 56.71 1a5j n TRP 30 Cb 0.47 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.25 1a5j n TRP 30 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1a5j h THR 31 N 2.19 1.47 -0.31 -0.99 2.02 -1.96 -3.02 112.91 112.31 1a5j h THR 31 Ca 0.00 -1.82 0.09 0.00 0.77 0.00 0.00 66.41 65.45 1a5j h THR 31 Cb 0.47 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 1a5j h THR 31 CO 0.00 0.51 0.46 0.17 0.37 0.00 0.00 175.52 177.03 1a5j h LEU 32 N -0.29 0.00 -0.06 2.58 -0.00 -1.96 1.23 115.31 116.81 1a5j h LEU 32 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.77 1a5j h LEU 32 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1a5j h LEU 32 CO 0.06 0.00 -0.29 0.40 -0.00 0.00 0.00 178.44 178.61 1a5j h ILE 33 N 0.00 1.44 -0.59 0.15 5.03 -1.75 -1.29 117.51 120.49 1a5j h ILE 33 Ca 0.15 -1.72 -0.06 0.00 -0.12 0.00 0.00 64.86 63.10 1a5j h ILE 33 Cb 1.07 2.37 -0.04 0.00 -3.03 0.00 0.00 36.82 37.19 1a5j h ILE 33 CO -0.00 0.49 0.08 0.00 -0.68 0.00 0.00 178.15 178.04 1a5j n ALA 34 N -2.50 4.02 -0.01 1.87 0.00 0.15 -3.93 120.51 120.11 1a5j n ALA 34 Ca -0.08 -1.91 -0.01 0.00 0.00 0.00 0.00 53.44 51.43 1a5j n ALA 34 Cb 0.49 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 0.37 2.43 0.00 0.00 4.81 0.38 -4.57 118.16 121.59 1a5j n LYS 35 Ca 0.30 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.89 1a5j n LYS 35 Cb 1.20 -1.03 0.65 0.00 0.02 0.00 0.00 35.03 35.87 1a5j n LYS 35 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1a5j n HIS 36 N -2.23 0.00 -3.56 5.64 8.25 -0.49 -4.65 115.22 118.17 1a5j n HIS 36 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1a5j n HIS 36 Cb 0.54 -0.16 -0.12 0.00 1.12 0.00 0.00 29.99 31.37 1a5j n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a5j s LEU 37 N -2.40 -0.35 0.01 2.41 1.43 -1.25 -5.09 118.68 113.44 1a5j s LEU 37 Ca 0.32 0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.84 1a5j s LEU 37 Cb 0.20 0.77 -0.03 0.00 0.03 0.00 0.00 46.19 47.16 1a5j s LEU 37 CO 0.45 -0.27 -0.15 -1.59 0.23 0.00 0.00 176.35 175.02 1a5j s LYS 38 N 2.44 2.26 0.00 1.70 0.00 -1.26 -4.63 119.74 120.25 1a5j s LYS 38 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 55.97 55.15 1a5j s LYS 38 Cb -0.14 -2.29 0.00 0.00 0.00 0.00 0.00 37.83 35.40 1a5j s LYS 38 CO -0.11 0.57 0.00 0.41 0.00 0.00 0.00 175.35 176.22 1a5j n GLY 39 N 1.71 0.99 3.92 0.59 0.00 -1.26 -5.07 105.19 106.06 1a5j n GLY 39 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 1.18 1.36 1.61 1.81 -1.26 -5.02 118.95 118.63 1a5j s ARG 40 Ca 0.00 -0.77 -0.22 0.00 -1.72 0.00 0.00 55.73 53.02 1a5j s ARG 40 Cb 0.00 0.33 0.35 0.00 -0.45 0.00 0.00 34.95 35.17 1a5j s ARG 40 CO 0.00 -0.55 1.00 -0.51 -0.68 0.00 0.00 175.30 174.56 1a5j s LEU 41 N -3.52 -0.53 0.00 2.53 2.01 -1.26 -5.01 118.68 112.90 1a5j s LEU 41 Ca 0.24 0.69 0.00 0.00 0.01 0.00 0.00 54.13 55.07 1a5j s LEU 41 Cb -0.03 -2.18 0.00 0.00 0.01 0.00 0.00 46.19 43.99 1a5j s LEU 41 CO 0.05 -5.00 0.00 0.61 1.01 0.00 0.00 176.35 173.02 1a5j n GLY 42 N 0.47 -0.90 2.70 -3.19 0.00 -1.26 -4.97 105.19 98.03 1a5j n GLY 42 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.42 -0.01 1.61 2.36 -1.26 -5.03 119.74 117.83 1a5j s LYS 43 Ca 0.00 -0.41 -0.00 0.00 -2.55 0.00 0.00 55.97 53.01 1a5j s LYS 43 Cb 0.00 -0.02 0.00 0.00 -1.05 0.00 0.00 37.83 36.76 1a5j s LYS 43 CO 0.00 -0.52 0.00 1.04 1.55 0.00 0.00 175.35 177.42 1a5j n GLN 44 N 2.72 -0.56 -1.91 4.03 6.02 -1.26 -4.91 117.38 121.51 1a5j n GLN 44 Ca 0.13 0.91 -0.31 0.00 -0.01 0.00 0.00 57.00 57.72 1a5j n GLN 44 Cb 0.63 -1.05 0.01 0.00 1.02 0.00 0.00 30.24 30.85 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a5j n ARG 46 N -2.73 -1.58 -1.94 0.00 1.85 -1.26 -4.88 116.66 106.11 1a5j n ARG 46 Ca 0.06 1.14 -0.01 0.00 -1.00 0.00 0.00 57.85 58.04 1a5j n ARG 46 Cb 0.54 -1.66 0.01 0.00 -1.05 0.00 0.00 32.46 30.30 1a5j n ARG 46 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1a5j n GLU 47 N -0.28 0.20 0.00 2.89 1.02 -1.26 -4.74 120.64 118.46 1a5j n GLU 47 Ca -0.09 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 1a5j n GLU 47 Cb 0.57 0.04 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 1a5j n GLU 47 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a5j n ARG 48 N -0.31 0.00 -0.00 3.49 5.12 -1.26 -4.88 116.66 118.82 1a5j n ARG 48 Ca -0.09 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.86 1a5j n ARG 48 Cb 0.58 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.83 1a5j n ARG 48 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 1a5j n TRP 49 N -0.74 0.00 -0.03 -1.55 2.14 -1.26 -4.62 117.44 111.38 1a5j n TRP 49 Ca 0.00 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.35 1a5j n TRP 49 Cb 0.00 -0.16 -0.13 0.00 -0.81 0.00 0.00 31.31 30.20 1a5j n TRP 49 CO 0.00 0.00 0.00 0.72 2.07 0.00 0.00 177.69 180.48 1a5j n HIS 50 N -1.75 1.21 -3.67 -2.67 8.25 -1.26 -4.66 115.22 110.67 1a5j n HIS 50 Ca -0.01 0.32 -0.38 0.00 -0.26 0.00 0.00 57.72 57.39 1a5j n HIS 50 Cb 0.19 -1.15 -0.09 0.00 1.12 0.00 0.00 29.99 30.06 1a5j n HIS 50 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1a5j s ASN 51 N -7.00 5.46 0.07 0.41 0.01 -1.26 -4.60 114.94 108.02 1a5j s ASN 51 Ca -0.24 -2.60 0.00 0.00 -0.71 0.00 0.00 52.86 49.31 1a5j s ASN 51 Cb 0.06 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.82 1a5j s ASN 51 CO 0.72 -0.46 0.00 1.57 -1.51 0.00 0.00 177.10 177.42 1a5j n HIS 52 N 3.87 -1.85 -1.51 2.20 -0.00 -1.26 -4.14 115.22 112.53 1a5j n HIS 52 Ca 0.05 0.24 -0.32 0.00 0.46 0.00 0.00 57.72 58.15 1a5j n HIS 52 Cb 0.40 0.82 -0.15 0.00 -0.12 0.00 0.00 29.99 30.94 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 -2.56 0.21 -3.43 0.27 7.94 -1.26 -4.77 117.00 113.40 1a5j n LEU 53 Ca 0.00 -0.29 -0.26 0.00 -1.11 0.00 0.00 56.01 54.35 1a5j n LEU 53 Cb 0.00 -0.97 -0.09 0.00 0.53 0.00 0.00 43.42 42.89 1a5j n LEU 53 CO 0.00 -1.24 -0.17 -3.20 -1.11 0.00 0.00 177.39 171.68 1a5j n ASN 54 N 10.60 1.36 -3.25 1.96 5.15 -1.26 -5.10 115.26 124.71 1a5j n ASN 54 Ca 0.61 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.71 1a5j n ASN 54 Cb 0.18 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 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 1.76 1.42 -0.08 1.20 -0.04 -1.26 -5.07 135.00 132.93 1a5j n PRO 55 Ca 0.25 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1a5j n PRO 55 Cb 0.46 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.37 0.22 0.54 2.13 -1.26 -4.93 120.64 116.97 1a5j n GLU 56 Ca 0.00 -0.09 0.07 0.00 0.66 0.00 0.00 57.16 57.80 1a5j n GLU 56 Cb 0.00 -0.07 0.49 0.00 0.27 0.00 0.00 31.44 32.14 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1a5j h VAL 57 N -1.19 0.89 0.00 6.31 2.07 -1.87 -3.46 116.25 119.00 1a5j h VAL 57 Ca -0.02 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1a5j h VAL 57 Cb 0.06 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1a5j h VAL 57 CO 0.01 0.26 0.00 0.29 0.02 0.00 0.00 177.57 178.15 1a5j n LYS 58 N -3.79 0.00 0.04 1.57 5.02 -1.26 -4.98 118.16 114.76 1a5j n LYS 58 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1a5j n LYS 58 Cb 0.36 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.68 1a5j n LYS 58 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1a5j h LYS 59 N 0.00 0.42 0.00 1.97 -0.00 -1.90 -3.45 116.57 113.62 1a5j h LYS 59 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 60.65 60.54 1a5j h LYS 59 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 32.18 1a5j h LYS 59 CO 0.00 0.53 0.00 -1.13 -0.00 0.00 0.00 179.45 178.85 1a5j n SER 60 N -4.24 0.00 0.00 7.07 3.41 -1.26 -5.07 113.62 113.52 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 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1a5j n SER 60 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a5j n SER 61 N 0.00 -0.01 -4.14 4.04 2.88 -1.26 -4.54 113.62 110.59 1a5j n SER 61 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1a5j n SER 61 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 1a5j n SER 61 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1a5j s TRP 62 N 0.00 0.75 0.00 0.66 0.52 -1.26 -5.00 118.94 114.61 1a5j s TRP 62 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 56.10 57.02 1a5j s TRP 62 Cb 0.00 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 1a5j s TRP 62 CO 0.00 -4.17 0.00 0.25 0.02 0.00 0.00 176.95 173.05 1a5j n THR 63 N -5.09 0.00 0.00 2.01 -2.24 -1.26 -4.30 114.28 103.40 1a5j n THR 63 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1a5j n THR 63 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1a5j n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a5j n GLU 64 N 0.00 0.00 -0.32 -0.78 -0.58 -1.26 -2.09 120.64 115.60 1a5j n GLU 64 Ca 0.00 0.14 0.20 0.00 -0.42 0.00 0.00 57.16 57.08 1a5j n GLU 64 Cb 0.00 -0.77 0.40 0.00 -0.57 0.00 0.00 31.44 30.50 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 0.23 -0.40 3.49 5.08 -2.00 1.69 114.58 122.68 1a5j h GLU 65 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1a5j h GLU 65 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1a5j h GLU 65 CO 0.00 0.15 0.22 0.93 -1.00 0.00 0.00 179.01 179.31 1a5j h GLU 66 N 0.24 0.54 0.55 2.33 5.08 -1.98 0.61 114.58 121.95 1a5j h GLU 66 Ca 0.67 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.95 1a5j h GLU 66 Cb 1.47 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.62 1a5j h GLU 66 CO -0.66 0.40 -0.26 0.22 -1.00 0.00 0.00 179.01 177.71 1a5j h ASP 67 N 0.55 -0.62 0.54 1.42 1.82 0.31 -2.04 116.42 118.39 1a5j h ASP 67 Ca 0.14 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.73 1a5j h ASP 67 Cb 0.01 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1a5j h ASP 67 CO -0.02 -0.34 -0.42 0.03 -1.61 0.00 0.00 179.24 176.88 1a5j h ARG 68 N -0.89 -0.90 -0.93 0.28 3.08 -1.05 -1.64 114.38 112.33 1a5j h ARG 68 Ca -0.08 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.18 1a5j h ARG 68 Cb 0.62 0.20 -0.15 0.00 0.08 0.00 0.00 29.97 30.72 1a5j h ARG 68 CO 0.12 -0.60 -0.35 -0.89 -1.07 0.00 0.00 179.97 177.18 1a5j n ILE 69 N -5.53 -0.48 0.00 2.04 5.41 0.18 0.13 119.36 121.11 1a5j n ILE 69 Ca -0.12 2.18 0.00 0.00 1.00 0.00 0.00 62.75 65.81 1a5j n ILE 69 Cb 0.42 -2.89 0.00 0.00 -0.71 0.00 0.00 39.64 36.46 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 -5.39 0.00 0.11 1.39 2.08 -0.77 0.22 119.36 117.00 1a5j n ILE 70 Ca 0.10 1.46 0.17 0.00 0.56 0.00 0.00 62.75 65.04 1a5j n ILE 70 Cb 0.38 -2.31 0.51 0.00 -0.75 0.00 0.00 39.64 37.48 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 0.16 1.39 3.04 -0.15 0.28 116.94 121.65 1a5j h PHE 71 Ca 0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 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 -0.12 0.00 -0.08 1.49 -2.02 0.00 0.00 178.31 177.58 1a5j h GLU 72 N 0.00 -0.21 -0.14 1.11 4.81 0.27 -2.69 114.58 117.73 1a5j h GLU 72 Ca 0.19 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1a5j h GLU 72 Cb 1.72 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.14 1a5j h GLU 72 CO -0.00 -0.12 0.14 0.00 -0.73 0.00 0.00 179.01 178.30 1a5j h ALA 73 N -1.04 1.82 0.00 2.92 0.00 0.21 0.81 119.26 123.98 1a5j h ALA 73 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a5j h ALA 73 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a5j h ALA 73 CO 0.04 -0.22 0.00 1.25 0.00 0.00 0.00 179.25 180.32 1a5j h HIS 74 N 0.00 0.00 -0.63 0.00 2.76 -0.63 -1.13 115.15 115.53 1a5j h HIS 74 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1a5j h HIS 74 Cb 0.35 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.31 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 -2.60 3.26 0.00 5.26 2.85 0.28 -3.63 118.16 123.57 1a5j n LYS 75 Ca 0.04 -2.72 0.00 0.00 -1.05 0.00 0.00 58.31 54.58 1a5j n LYS 75 Cb 0.41 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 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 1.16 0.00 0.00 0.58 0.31 -0.92 -4.99 118.33 114.47 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 0.74 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 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 -2.41 0.00 0.00 7.52 4.32 -0.46 -5.11 117.00 120.86 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 0.45 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 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 3.25 -0.34 1.29 -0.72 0.00 -1.24 -4.87 105.19 102.56 1a5j n GLY 78 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 3.49 -2.91 1.61 0.23 -1.26 -4.49 115.26 111.94 1a5j n ASN 79 Ca 0.00 -2.53 -0.17 0.00 -0.53 0.00 0.00 54.58 51.34 1a5j n ASN 79 Cb 0.00 -0.61 -0.04 0.00 -2.08 0.00 0.00 39.78 37.05 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 0.25 1.78 -0.21 -3.83 3.00 -1.26 -4.50 116.66 111.89 1a5j n ARG 80 Ca 0.17 -1.19 0.21 0.00 -0.01 0.00 0.00 57.85 57.03 1a5j n ARG 80 Cb 0.80 -2.26 0.57 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 5.79 0.39 0.00 -1.55 4.06 -1.86 3.36 115.95 126.13 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 0.34 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1a5j h TRP 81 CO 1.82 0.10 -0.11 0.00 -3.56 0.00 0.00 178.44 176.68 1a5j h ALA 82 N 1.61 1.68 -0.00 1.49 0.00 -1.79 0.71 119.26 122.95 1a5j h ALA 82 Ca 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1a5j h ALA 82 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a5j h ALA 82 CO -0.13 0.14 -0.54 0.39 0.00 0.00 0.00 179.25 179.11 1a5j n GLU 83 N -4.21 3.03 0.06 0.00 -0.58 0.53 -3.94 120.64 115.53 1a5j n GLU 83 Ca -0.03 -0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.46 1a5j n GLU 83 Cb 0.19 -1.06 -0.15 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.09 1.36 -0.15 -3.67 5.03 0.62 -3.33 117.51 117.45 1a5j h ILE 84 Ca 0.00 -2.54 -0.20 0.00 -0.12 0.00 0.00 64.86 62.00 1a5j h ILE 84 Cb 0.29 3.06 0.00 0.00 -3.03 0.00 0.00 36.82 37.15 1a5j h ILE 84 CO 0.00 0.73 -0.72 0.00 -0.68 0.00 0.00 178.15 177.48 1a5j h ALA 85 N 0.07 0.44 -0.01 1.87 0.00 -1.09 -3.37 119.26 117.17 1a5j h ALA 85 Ca -0.20 -0.59 -0.61 0.00 0.00 0.00 0.00 54.91 53.51 1a5j h ALA 85 Cb 1.77 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 19.62 1a5j h ALA 85 CO 0.16 0.71 1.79 1.63 0.00 0.00 0.00 179.25 183.53 1a5j n LYS 86 N -3.92 0.74 0.00 0.00 5.02 -1.25 -2.61 118.16 116.14 1a5j n LYS 86 Ca -0.06 -1.43 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 1a5j n LYS 86 Cb 0.71 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 1a5j n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a5j n LEU 87 N 8.48 0.00 -4.53 -0.35 4.77 -1.26 -4.93 117.00 119.18 1a5j n LEU 87 Ca 0.48 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.21 1a5j n LEU 87 Cb 0.41 0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1a5j n LEU 87 CO 1.11 -0.21 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.79 1a5j s LEU 88 N -3.84 2.73 -1.02 2.23 2.01 -1.07 -5.05 118.68 114.67 1a5j s LEU 88 Ca 0.00 -1.06 -0.23 0.00 0.01 0.00 0.00 54.13 52.85 1a5j s LEU 88 Cb 0.00 -1.14 0.00 0.00 0.01 0.00 0.00 46.19 45.06 1a5j s LEU 88 CO 0.00 -0.08 1.72 -2.16 1.01 0.00 0.00 176.35 176.84 1a5j s PRO 89 N -3.58 3.12 0.00 1.29 0.04 -1.26 -4.74 135.00 129.87 1a5j s PRO 89 Ca 0.32 -0.90 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1a5j s PRO 89 Cb -0.02 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1a5j s PRO 89 CO 0.16 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1a5j n GLY 90 N 6.61 4.45 0.15 0.56 0.00 -1.26 -5.17 105.19 110.52 1a5j n GLY 90 Ca 0.39 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.54 -0.39 -0.01 1.61 5.12 -1.26 -4.87 116.66 115.32 1a5j n ARG 91 Ca 0.00 0.31 -0.03 0.00 -1.93 0.00 0.00 57.85 56.20 1a5j n ARG 91 Cb 0.00 -0.39 -0.01 0.00 -1.16 0.00 0.00 32.46 30.90 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 -1.75 0.39 0.02 0.55 -2.24 -1.26 -4.71 114.28 105.29 1a5j n THR 92 Ca -0.00 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1a5j n THR 92 Cb 0.05 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 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 -3.24 -0.44 0.32 3.42 5.75 -1.26 -4.29 116.55 116.81 1a5j n ASP 93 Ca -0.06 0.20 0.21 0.00 -0.01 0.00 0.00 54.79 55.14 1a5j n ASP 93 Cb 0.45 0.63 1.08 0.00 -1.03 0.00 0.00 41.12 42.25 1a5j n ASP 93 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1a5j h ASN 94 N 0.00 0.00 0.42 -1.12 -1.24 -1.97 0.41 115.58 112.08 1a5j h ASN 94 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1a5j h ASN 94 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1a5j h ASN 94 CO 0.00 0.00 -0.20 0.00 -1.29 0.00 0.00 177.43 175.94 1a5j h ALA 95 N 2.00 -0.80 0.19 1.57 0.00 -1.95 -2.06 119.26 118.21 1a5j h ALA 95 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1a5j h ALA 95 Cb 0.14 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1a5j h ALA 95 CO 0.00 -0.76 -0.09 0.28 0.00 0.00 0.00 179.25 178.68 1a5j h VAL 96 N -0.79 0.84 -0.98 0.00 2.07 -1.86 0.21 116.25 115.74 1a5j h VAL 96 Ca -0.06 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.47 1a5j h VAL 96 Cb 0.43 0.91 -0.14 0.00 -1.52 0.00 0.00 31.29 30.97 1a5j h VAL 96 CO 0.09 0.03 -0.46 1.17 0.02 0.00 0.00 177.57 178.42 1a5j n LYS 97 N -5.17 -0.31 0.24 1.57 4.81 0.11 0.54 118.16 119.94 1a5j n LYS 97 Ca -0.09 1.50 -0.16 0.00 -0.87 0.00 0.00 58.31 58.70 1a5j n LYS 97 Cb 0.14 -2.22 -0.08 0.00 0.02 0.00 0.00 35.03 32.90 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 -0.48 -0.82 3.14 -0.73 -1.16 -1.26 115.58 114.28 1a5j h ASN 98 Ca 0.27 -0.01 0.24 0.00 1.87 0.00 0.00 56.30 58.66 1a5j h ASN 98 Cb 0.51 0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 1a5j h ASN 98 CO -0.95 -0.31 0.88 -0.74 -0.37 0.00 0.00 177.43 175.95 1a5j h HIS 99 N -0.61 0.00 0.15 0.67 2.76 0.16 0.85 115.15 119.13 1a5j h HIS 99 Ca -0.06 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 1a5j h HIS 99 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1a5j h HIS 99 CO -0.04 0.00 -0.07 2.35 -1.30 0.00 0.00 177.93 178.87 1a5j h TRP 100 N 0.00 -0.18 0.00 5.26 -0.00 0.13 -2.40 115.95 118.76 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 2.15 0.06 0.00 0.00 -0.00 0.00 0.00 29.16 31.38 1a5j h TRP 100 CO 0.00 -0.11 0.00 0.09 -0.00 0.00 0.00 178.44 178.42 1a5j n ASN 101 N -2.64 0.00 0.00 2.65 3.02 0.21 -0.87 115.26 117.63 1a5j n ASN 101 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1a5j n ASN 101 Cb 0.08 -0.17 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 -1.17 0.00 0.00 6.41 7.64 0.27 -4.72 113.62 122.05 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 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.23 0.44 -1.04 -0.97 -4.66 114.28 107.35 1a5j n THR 103 Ca 0.00 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.05 61.62 1a5j n THR 103 Cb 0.00 0.79 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 -0.92 2.22 -3.51 12.58 5.41 -0.59 -4.70 119.36 129.85 1a5j n ILE 104 Ca 0.00 -1.07 -0.15 0.00 1.00 0.00 0.00 62.75 62.54 1a5j n ILE 104 Cb 0.00 -0.74 -0.12 0.00 -0.71 0.00 0.00 39.64 38.07 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 -1.78 0.22 -0.00 0.38 -0.14 -0.05 -4.67 119.74 113.69 1a5j s LYS 105 Ca 0.31 0.46 -0.00 0.00 -1.36 0.00 0.00 55.97 55.37 1a5j s LYS 105 Cb 0.26 -0.67 -0.00 0.00 -1.68 0.00 0.00 37.83 35.74 1a5j s LYS 105 CO 0.06 -0.54 0.24 0.00 -0.76 0.00 0.00 175.35 174.35 1a5j h ARG 106 N 8.27 -0.01 -5.57 1.68 -0.00 -1.89 -3.39 114.38 113.47 1a5j h ARG 106 Ca -0.17 0.00 -0.39 0.00 -0.50 0.00 0.00 59.98 58.92 1a5j h ARG 106 Cb 1.14 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.06 1a5j h ARG 106 CO 0.23 -0.00 1.25 0.21 0.00 0.00 0.00 179.97 181.66 1a5j s LYS 107 N -1.50 2.78 0.08 0.04 2.47 -1.26 -3.68 119.74 118.67 1a5j s LYS 107 Ca -0.00 -1.24 0.00 0.00 -1.56 0.00 0.00 55.97 53.17 1a5j s LYS 107 Cb 0.00 -5.28 0.00 0.00 -1.46 0.00 0.00 37.83 31.09 1a5j s LYS 107 CO 0.00 -3.60 0.00 0.28 0.16 0.00 0.00 175.35 172.19 1a5j n VAL 108 N 7.55 0.00 -3.65 4.02 0.31 -1.26 -5.08 118.33 120.21 1a5j n VAL 108 Ca 0.45 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.52 1a5j n VAL 108 Cb 0.47 -0.22 0.01 0.00 -0.91 0.00 0.00 33.84 33.18 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 -2.69 -4.54 0.00 4.52 2.03 -1.24 -5.20 116.55 109.42 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 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 38.92 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69