#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 -3.43 -0.07 -0.61 5.41 -1.26 -4.97 119.36 114.44 1a5j n ILE 2 Ca 0.00 1.66 0.00 0.00 1.00 0.00 0.00 62.75 65.41 1a5j n ILE 2 Cb 0.00 -2.58 0.00 0.00 -0.71 0.00 0.00 39.64 36.35 1a5j n ILE 2 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1a5j n PRO 3 N -2.15 0.87 -0.62 0.38 -0.04 -1.26 -4.95 135.00 127.23 1a5j n PRO 3 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1a5j n PRO 3 Cb 0.34 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.06 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 0.39 -0.52 3.54 2.15 -1.26 -3.57 116.67 116.15 1a5j s ASP 4 Ca 0.00 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1a5j s ASP 4 Cb 0.00 -1.70 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 1a5j s ASP 4 CO 0.00 -4.51 0.00 0.18 -0.17 0.00 0.00 175.17 170.67 1a5j n LEU 5 N -5.08 -0.17 -0.02 -1.34 4.32 -1.26 -4.82 117.00 108.63 1a5j n LEU 5 Ca 0.07 0.12 0.03 0.00 -0.02 0.00 0.00 56.01 56.22 1a5j n LEU 5 Cb 0.57 -1.44 -0.10 0.00 -1.62 0.00 0.00 43.42 40.83 1a5j n LEU 5 CO 0.51 -0.45 -0.73 0.52 -1.22 0.00 0.00 177.39 176.03 1a5j n VAL 6 N -2.67 0.23 1.02 4.08 0.31 -1.23 -3.88 118.33 116.19 1a5j n VAL 6 Ca -0.05 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1a5j n VAL 6 Cb 0.26 -0.04 0.01 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 -2.10 1.08 0.00 5.55 4.01 -1.26 -4.03 118.16 121.42 1a5j n LYS 7 Ca -0.07 -0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.66 1a5j n LYS 7 Cb 0.50 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 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 0.05 -1.83 3.76 0.72 0.00 -1.26 -5.16 105.19 101.47 1a5j n GLY 8 Ca 0.01 0.79 -0.40 0.00 0.00 0.00 0.00 46.02 46.42 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 4.63 0.88 1.61 0.04 -1.25 -4.96 135.00 135.95 1a5j s PRO 9 Ca 0.00 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1a5j s PRO 9 Cb 0.00 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.51 1a5j s PRO 9 CO 0.00 0.22 1.12 -1.58 0.04 0.00 0.00 177.00 176.80 1a5j s TRP 10 N -1.20 1.97 0.20 0.56 0.52 -1.26 -5.05 118.94 114.68 1a5j s TRP 10 Ca 0.45 1.64 -0.15 0.00 0.02 0.00 0.00 56.10 58.06 1a5j s TRP 10 Cb -0.30 -3.22 0.01 0.00 -1.15 0.00 0.00 33.47 28.81 1a5j s TRP 10 CO 0.39 -2.51 0.46 0.95 0.02 0.00 0.00 176.95 176.26 1a5j s THR 11 N -2.75 0.03 0.24 2.01 -4.23 -1.26 -5.01 115.64 104.68 1a5j s THR 11 Ca 0.65 -1.06 -0.04 0.00 -1.18 0.00 0.00 61.69 60.06 1a5j s THR 11 Cb -0.21 -1.76 0.38 0.00 1.34 0.00 0.00 72.50 72.25 1a5j s THR 11 CO 0.58 -0.15 1.32 1.17 -0.54 0.00 0.00 174.62 177.00 1a5j n LYS 12 N -0.32 -0.07 -0.31 3.99 4.81 -1.26 0.23 118.16 125.23 1a5j n LYS 12 Ca -0.08 1.30 0.12 0.00 -0.87 0.00 0.00 58.31 58.78 1a5j n LYS 12 Cb 0.62 -1.98 0.26 0.00 0.02 0.00 0.00 35.03 33.95 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 0.07 -0.91 1.64 4.22 -1.97 1.21 114.58 118.85 1a5j h GLU 13 Ca 0.44 -0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.98 1a5j h GLU 13 Cb 0.74 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.90 1a5j h GLU 13 CO -0.85 0.05 0.55 1.05 -2.18 0.00 0.00 179.01 177.63 1a5j h GLU 14 N 0.08 0.87 0.00 1.92 -0.00 0.26 0.54 114.58 118.24 1a5j h GLU 14 Ca 0.54 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.85 1a5j h GLU 14 Cb 1.08 -0.20 0.00 0.00 -0.00 0.00 0.00 28.75 29.63 1a5j h GLU 14 CO -0.80 0.57 0.00 -0.25 -0.00 0.00 0.00 179.01 178.54 1a5j n ASP 15 N -4.68 0.00 -0.44 3.06 8.00 0.39 -0.91 116.55 121.97 1a5j n ASP 15 Ca 0.16 0.70 0.37 0.00 0.71 0.00 0.00 54.79 56.73 1a5j n ASP 15 Cb 0.31 -0.49 0.65 0.00 -0.02 0.00 0.00 41.12 41.57 1a5j n ASP 15 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1a5j h GLN 16 N 0.00 0.05 0.00 -1.24 3.07 -0.66 0.66 115.11 117.00 1a5j h GLN 16 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1a5j h GLN 16 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.55 1a5j h GLN 16 CO 0.00 0.04 0.00 1.17 0.09 0.00 0.00 178.83 180.13 1a5j n LYS 17 N -4.78 0.00 -0.47 0.06 4.81 0.19 -1.23 118.16 116.74 1a5j n LYS 17 Ca 0.38 0.28 0.40 0.00 -0.87 0.00 0.00 58.31 58.50 1a5j n LYS 17 Cb 1.45 -1.04 0.67 0.00 0.02 0.00 0.00 35.03 36.14 1a5j n LYS 17 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1a5j n VAL 18 N -1.34 -0.26 0.12 3.15 0.31 -0.09 -0.05 118.33 120.18 1a5j n VAL 18 Ca 0.00 1.81 -0.05 0.00 -0.01 0.00 0.00 64.34 66.09 1a5j n VAL 18 Cb 0.00 -2.96 -0.02 0.00 -0.91 0.00 0.00 33.84 29.95 1a5j n VAL 18 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1a5j h ILE 19 N 0.00 0.00 -0.15 2.52 5.03 0.28 0.12 117.51 125.31 1a5j h ILE 19 Ca 0.88 -0.04 0.04 0.00 -0.12 0.00 0.00 64.86 65.62 1a5j h ILE 19 Cb 2.82 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 36.60 1a5j h ILE 19 CO -0.47 0.00 0.57 -0.08 -0.68 0.00 0.00 178.15 177.48 1a5j h GLU 20 N -0.36 0.00 0.10 2.37 4.81 0.98 0.09 114.58 122.57 1a5j h GLU 20 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1a5j h GLU 20 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1a5j h GLU 20 CO 0.05 0.00 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.21 1a5j h LEU 21 N 0.00 -0.12 -1.68 1.64 3.38 -0.28 -2.44 115.31 115.82 1a5j h LEU 21 Ca 0.07 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1a5j h LEU 21 Cb 1.20 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1a5j h LEU 21 CO -0.00 0.16 0.54 0.58 0.09 0.00 0.00 178.44 179.81 1a5j h VAL 22 N -0.63 0.14 -0.03 1.22 2.07 0.77 1.37 116.25 121.17 1a5j h VAL 22 Ca -0.01 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 1a5j h VAL 22 Cb 0.11 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1a5j h VAL 22 CO 0.02 0.00 -0.57 0.11 0.02 0.00 0.00 177.57 177.15 1a5j h LYS 23 N 0.00 0.44 0.00 1.57 1.79 -1.07 1.65 116.57 120.95 1a5j h LYS 23 Ca 0.13 -0.43 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1a5j h LYS 23 Cb 1.20 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1a5j h LYS 23 CO -0.00 1.08 -0.06 -0.22 -1.08 0.00 0.00 179.45 179.17 1a5j h LYS 24 N -0.04 0.00 0.00 3.15 3.11 0.12 -3.35 116.57 119.55 1a5j h LYS 24 Ca -0.06 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.69 1a5j h LYS 24 Cb 1.26 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 1a5j h LYS 24 CO 0.11 0.00 -0.94 0.66 -2.81 0.00 0.00 179.45 176.47 1a5j n TYR 25 N -3.00 0.69 -1.10 1.91 4.02 0.40 -5.03 117.16 115.05 1a5j n TYR 25 Ca 0.04 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.23 1a5j n TYR 25 Cb 0.52 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 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 1.52 0.00 1.04 2.72 0.00 0.56 -4.77 105.19 106.26 1a5j n GLY 26 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.96 0.00 0.00 2.61 5.66 -1.26 -5.00 114.28 117.25 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 0.09 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 -2.80 0.00 -2.06 1.09 5.02 -1.26 -5.07 118.16 113.08 1a5j n LYS 28 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 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 2.50 0.00 1.97 -0.21 -1.26 -4.60 119.66 118.06 1a5j s GLN 29 Ca 0.00 -0.90 0.27 0.00 0.02 0.00 0.00 55.36 54.75 1a5j s GLN 29 Cb 0.00 -5.19 0.89 0.00 1.00 0.00 0.00 33.01 29.71 1a5j s GLN 29 CO 0.00 -3.83 1.65 0.91 -2.12 0.00 0.00 175.29 171.90 1a5j n TRP 30 N 14.34 0.00 -0.03 0.91 7.02 -1.26 -3.92 117.44 134.50 1a5j n TRP 30 Ca 0.43 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.76 1a5j n TRP 30 Cb 0.47 -0.02 -0.09 0.00 -2.42 0.00 0.00 31.31 29.25 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 2.47 1.38 -0.40 -0.99 1.03 -1.90 -2.97 112.91 111.53 1a5j h THR 31 Ca 0.00 -1.83 0.12 0.00 -0.01 0.00 0.00 66.41 64.69 1a5j h THR 31 Cb 0.56 2.25 -0.02 0.00 -1.07 0.00 0.00 68.15 69.87 1a5j h THR 31 CO 0.00 0.54 0.55 0.17 -0.01 0.00 0.00 175.52 176.77 1a5j h LEU 32 N 0.06 0.00 -0.12 0.00 -0.00 -1.96 1.17 115.31 114.46 1a5j h LEU 32 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.75 1a5j h LEU 32 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1a5j h LEU 32 CO 0.10 0.00 -0.30 0.40 -0.00 0.00 0.00 178.44 178.64 1a5j h ILE 33 N 0.00 1.38 -0.64 0.15 5.03 -1.75 -1.76 117.51 119.91 1a5j h ILE 33 Ca 0.19 -1.60 -0.13 0.00 -0.12 0.00 0.00 64.86 63.20 1a5j h ILE 33 Cb 1.28 2.09 -0.08 0.00 -3.03 0.00 0.00 36.82 37.08 1a5j h ILE 33 CO -0.00 0.47 0.16 0.00 -0.68 0.00 0.00 178.15 178.10 1a5j n ALA 34 N -2.49 4.24 -0.01 1.87 0.00 0.22 -3.92 120.51 120.42 1a5j n ALA 34 Ca -0.07 -2.24 -0.02 0.00 0.00 0.00 0.00 53.44 51.11 1a5j n ALA 34 Cb 0.48 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 0.03 2.54 0.05 0.00 0.00 0.34 -4.58 118.16 116.54 1a5j n LYS 35 Ca 0.35 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.79 1a5j n LYS 35 Cb 1.29 -1.07 0.34 0.00 0.00 0.00 0.00 35.03 35.59 1a5j n LYS 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1a5j n HIS 36 N -2.24 0.43 -3.63 5.64 8.25 -0.67 -4.68 115.22 118.30 1a5j n HIS 36 Ca -0.05 0.12 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 1a5j n HIS 36 Cb 0.58 -0.61 -0.17 0.00 1.12 0.00 0.00 29.99 30.91 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 -3.80 0.14 0.36 2.41 1.43 -1.25 -5.11 118.68 112.85 1a5j s LEU 37 Ca 0.10 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1a5j s LEU 37 Cb 0.15 -0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.29 1a5j s LEU 37 CO 0.65 -0.29 0.63 -1.59 0.23 0.00 0.00 176.35 175.98 1a5j s LYS 38 N 2.20 3.60 0.00 1.70 0.00 -1.26 -4.58 119.74 121.40 1a5j s LYS 38 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 55.97 56.04 1a5j s LYS 38 Cb -0.14 -2.56 0.00 0.00 0.00 0.00 0.00 37.83 35.13 1a5j s LYS 38 CO -0.06 0.08 0.00 0.41 0.00 0.00 0.00 175.35 175.77 1a5j n GLY 39 N -1.46 0.56 0.00 0.59 0.00 -1.26 -4.96 105.19 98.66 1a5j n GLY 39 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.04 0.00 -2.97 1.61 5.12 -1.26 -5.01 116.66 114.11 1a5j n ARG 40 Ca 0.00 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 1a5j n ARG 40 Cb 0.02 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.26 1a5j n ARG 40 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1a5j s LEU 41 N 0.00 4.54 0.02 0.55 2.01 -1.26 -4.93 118.68 119.62 1a5j s LEU 41 Ca 0.00 1.59 0.13 0.00 0.01 0.00 0.00 54.13 55.85 1a5j s LEU 41 Cb 0.00 -3.29 0.54 0.00 0.01 0.00 0.00 46.19 43.46 1a5j s LEU 41 CO 0.00 0.13 1.40 0.61 1.01 0.00 0.00 176.35 179.50 1a5j n GLY 42 N 1.89 -0.93 0.00 -3.19 0.00 -1.26 -4.63 105.19 97.07 1a5j n GLY 42 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.57 2.60 -3.99 1.61 3.00 -1.26 -4.49 118.16 114.06 1a5j n LYS 43 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.00 1a5j n LYS 43 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.19 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 0.00 -0.44 -4.22 1.64 7.27 -1.26 -4.91 117.38 115.46 1a5j n GLN 44 Ca 0.00 -0.12 -0.26 0.00 0.07 0.00 0.00 57.00 56.69 1a5j n GLN 44 Cb 0.00 -1.44 -0.08 0.00 2.41 0.00 0.00 30.24 31.13 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1a5j n ARG 46 N -1.23 -0.38 -1.46 0.00 1.85 -1.26 -4.90 116.66 109.28 1a5j n ARG 46 Ca -0.02 0.65 -0.00 0.00 -1.00 0.00 0.00 57.85 57.47 1a5j n ARG 46 Cb 0.65 -0.85 0.01 0.00 -1.05 0.00 0.00 32.46 31.22 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 0.91 0.13 0.00 2.89 1.02 -1.26 -4.69 120.64 119.64 1a5j n GLU 47 Ca -0.01 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1a5j n GLU 47 Cb 0.40 0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 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 -4.88 116.66 113.85 1a5j n ARG 48 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1a5j n ARG 48 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.96 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 -2.06 0.00 -0.07 -0.14 4.27 -1.26 -4.42 117.44 113.77 1a5j n TRP 49 Ca 0.00 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.41 1a5j n TRP 49 Cb 0.00 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 29.82 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 -0.83 0.60 -2.79 -2.67 -0.00 -1.26 -4.49 115.22 103.78 1a5j n HIS 50 Ca 0.01 0.13 -0.32 0.00 0.46 0.00 0.00 57.72 57.99 1a5j n HIS 50 Cb 0.04 -1.08 -0.01 0.00 -0.12 0.00 0.00 29.99 28.82 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 -3.39 5.62 0.00 0.26 3.02 -1.26 -4.56 115.26 114.95 1a5j n ASN 51 Ca -0.39 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 50.46 1a5j n ASN 51 Cb 1.01 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.20 0.00 -1.63 3.10 -0.00 -1.26 -4.64 115.22 110.59 1a5j n HIS 52 Ca 0.38 0.00 -0.65 0.00 0.46 0.00 0.00 57.72 57.90 1a5j n HIS 52 Cb 0.35 0.15 -0.10 0.00 -0.12 0.00 0.00 29.99 30.27 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 -2.43 1.11 -3.25 0.27 0.00 -1.26 -4.88 117.00 106.55 1a5j n LEU 53 Ca 0.00 1.08 -0.17 0.00 0.00 0.00 0.00 56.01 56.92 1a5j n LEU 53 Cb 0.24 -0.86 -0.07 0.00 0.00 0.00 0.00 43.42 42.73 1a5j n LEU 53 CO 0.00 -0.81 -0.14 0.21 0.00 0.00 0.00 177.39 176.65 1a5j s ASN 54 N 3.43 0.69 0.00 1.96 2.47 -1.26 -5.14 114.94 117.09 1a5j s ASN 54 Ca 1.05 -2.02 0.00 0.00 0.42 0.00 0.00 52.86 52.31 1a5j s ASN 54 Cb -1.47 0.56 0.00 0.00 -1.45 0.00 0.00 41.25 38.90 1a5j s ASN 54 CO 0.78 -0.19 0.00 -0.81 -3.72 0.00 0.00 177.10 173.15 1a5j n PRO 55 N 3.60 1.45 -0.05 0.43 -0.04 -1.26 -5.07 135.00 134.05 1a5j n PRO 55 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1a5j n PRO 55 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.14 0.00 0.54 4.07 -1.26 -4.92 120.64 119.21 1a5j n GLU 56 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 1a5j n GLU 56 Cb 0.00 0.00 0.42 0.00 -0.06 0.00 0.00 31.44 31.80 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1a5j n VAL 57 N -1.79 0.64 0.00 6.31 0.31 -1.26 -4.88 118.33 117.66 1a5j n VAL 57 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1a5j n VAL 57 Cb 0.00 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 -1.49 0.00 -0.05 5.55 5.02 -1.25 -4.88 118.16 121.06 1a5j n LYS 58 Ca 0.05 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.35 1a5j n LYS 58 Cb 0.23 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.08 1a5j n LYS 58 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1a5j n LYS 59 N -0.42 0.67 -3.19 1.97 0.00 -1.26 -4.63 118.16 111.30 1a5j n LYS 59 Ca 0.00 -0.09 -0.22 0.00 -0.00 0.00 0.00 58.31 58.00 1a5j n LYS 59 Cb 0.00 -1.53 -0.06 0.00 -0.00 0.00 0.00 35.03 33.44 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 -2.52 0.37 0.00 -5.58 3.41 -1.26 -5.08 113.62 102.96 1a5j n SER 60 Ca -0.18 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1a5j n SER 60 Cb 0.86 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.05 0.00 -4.06 4.04 3.41 -1.26 -5.16 113.62 111.64 1a5j n SER 61 Ca 0.22 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.54 1a5j n SER 61 Cb 0.57 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.78 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 -1.30 0.60 0.00 7.33 0.52 -1.26 -4.89 118.94 119.94 1a5j s TRP 62 Ca 0.00 0.85 0.00 0.00 0.02 0.00 0.00 56.10 56.97 1a5j s TRP 62 Cb 0.00 -3.07 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 1a5j s TRP 62 CO 0.00 -4.24 0.00 0.25 0.02 0.00 0.00 176.95 172.98 1a5j n THR 63 N -5.13 0.00 0.00 2.01 -2.24 -1.26 -3.81 114.28 103.85 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 -0.42 -0.78 1.02 -1.26 -2.68 120.64 116.53 1a5j n GLU 64 Ca 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 57.16 57.49 1a5j n GLU 64 Cb 0.00 -0.43 0.67 0.00 -0.02 0.00 0.00 31.44 31.66 1a5j n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1a5j h GLU 65 N 0.00 0.12 -0.54 3.49 5.08 -2.00 1.47 114.58 122.20 1a5j h GLU 65 Ca 0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1a5j h GLU 65 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1a5j h GLU 65 CO 0.00 0.08 -0.03 0.93 -1.00 0.00 0.00 179.01 178.99 1a5j h GLU 66 N 0.13 0.95 0.34 2.33 5.08 -1.98 -0.68 114.58 120.74 1a5j h GLU 66 Ca 0.71 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1a5j h GLU 66 Cb 2.39 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.55 1a5j h GLU 66 CO -0.21 0.96 -0.16 0.22 -1.00 0.00 0.00 179.01 178.81 1a5j h ASP 67 N 0.87 -0.38 0.35 1.42 1.82 0.22 -2.72 116.42 118.00 1a5j h ASP 67 Ca 0.15 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1a5j h ASP 67 Cb 0.55 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 1a5j h ASP 67 CO 0.03 -0.22 -0.26 0.03 -1.61 0.00 0.00 179.24 177.21 1a5j h ARG 68 N -0.51 -0.56 -0.54 0.28 2.47 -1.31 -2.30 114.38 111.90 1a5j h ARG 68 Ca -0.05 0.04 0.15 0.00 -1.26 0.00 0.00 59.98 58.86 1a5j h ARG 68 Cb 0.39 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 28.73 1a5j h ARG 68 CO 0.08 -0.37 0.02 -0.89 0.56 0.00 0.00 179.97 179.36 1a5j n ILE 69 N -3.93 -0.23 0.35 2.04 5.41 -0.27 0.20 119.36 122.93 1a5j n ILE 69 Ca -0.07 1.19 -0.15 0.00 1.00 0.00 0.00 62.75 64.72 1a5j n ILE 69 Cb 0.25 -1.75 -0.08 0.00 -0.71 0.00 0.00 39.64 37.36 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 0.37 1.39 1.08 -1.09 0.34 117.51 119.60 1a5j h ILE 70 Ca 0.33 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.80 1a5j h ILE 70 Cb 0.69 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 1a5j h ILE 70 CO -0.51 0.00 -0.32 0.15 -0.69 0.00 0.00 178.15 176.78 1a5j h PHE 71 N -0.95 -0.87 0.00 1.37 3.57 0.28 1.06 116.94 121.40 1a5j h PHE 71 Ca -0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1a5j h PHE 71 Cb 0.75 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1a5j h PHE 71 CO -0.02 -0.47 0.14 1.05 -2.23 0.00 0.00 178.31 176.78 1a5j h GLU 72 N -0.71 0.00 0.08 1.11 -0.00 0.84 0.12 114.58 116.02 1a5j h GLU 72 Ca -0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 58.96 1a5j h GLU 72 Cb 0.62 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.34 1a5j h GLU 72 CO -0.03 0.00 -2.18 0.00 -0.00 0.00 0.00 179.01 176.80 1a5j n ALA 73 N -1.78 1.11 0.19 1.06 0.00 0.12 -3.95 120.51 117.25 1a5j n ALA 73 Ca -0.02 -0.79 0.08 0.00 0.00 0.00 0.00 53.44 52.72 1a5j n ALA 73 Cb 0.18 -0.46 0.43 0.00 0.00 0.00 0.00 19.45 19.59 1a5j n ALA 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1a5j n HIS 74 N -3.38 0.54 -0.65 0.00 -0.00 0.35 0.38 115.22 112.45 1a5j n HIS 74 Ca -0.37 0.26 0.09 0.00 0.46 0.00 0.00 57.72 58.16 1a5j n HIS 74 Cb 1.03 -0.92 0.34 0.00 -0.12 0.00 0.00 29.99 30.31 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 -2.04 3.70 0.00 1.57 2.85 -0.68 -3.48 118.16 120.08 1a5j n LYS 75 Ca -0.00 -2.85 0.00 0.00 -1.05 0.00 0.00 58.31 54.41 1a5j n LYS 75 Cb 0.07 -1.87 0.00 0.00 -0.65 0.00 0.00 35.03 32.57 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 0.89 0.00 0.00 0.58 0.31 0.16 -4.98 118.33 115.29 1a5j n VAL 76 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1a5j n VAL 76 Cb 0.88 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 -2.40 0.00 0.00 7.52 4.32 -0.82 -5.13 117.00 120.48 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 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1a5j n LEU 77 CO 0.00 -0.45 0.00 0.61 -1.22 0.00 0.00 177.39 176.33 1a5j n GLY 78 N 3.34 0.09 1.17 -0.72 0.00 -1.23 -4.84 105.19 103.00 1a5j n GLY 78 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 3.09 -2.70 1.61 0.23 -1.26 -4.54 115.26 111.69 1a5j n ASN 79 Ca 0.00 -2.45 -0.16 0.00 -0.53 0.00 0.00 54.58 51.44 1a5j n ASN 79 Cb 0.00 -0.59 -0.06 0.00 -2.08 0.00 0.00 39.78 37.05 1a5j n ASN 79 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1a5j n ARG 80 N 0.20 1.81 -0.27 -3.83 0.63 -1.26 -4.49 116.66 109.45 1a5j n ARG 80 Ca 0.14 -1.11 0.19 0.00 -0.92 0.00 0.00 57.85 56.15 1a5j n ARG 80 Cb 0.71 -2.16 0.49 0.00 0.45 0.00 0.00 32.46 31.95 1a5j n ARG 80 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1a5j h TRP 81 N 5.12 0.61 -0.11 -0.14 4.06 -1.90 1.71 115.95 125.31 1a5j h TRP 81 Ca 0.34 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.34 1a5j h TRP 81 Cb 0.56 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1a5j h TRP 81 CO 1.73 0.15 0.15 0.00 -3.56 0.00 0.00 178.44 176.90 1a5j h ALA 82 N 1.61 1.61 0.00 1.49 0.00 -1.79 -0.37 119.26 121.81 1a5j h ALA 82 Ca 0.49 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 55.02 1a5j h ALA 82 Cb 1.18 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1a5j h ALA 82 CO -0.21 -0.20 -2.43 -0.85 0.00 0.00 0.00 179.25 175.56 1a5j n GLU 83 N -3.64 0.67 -0.05 0.00 -0.00 0.53 -3.88 120.64 114.28 1a5j n GLU 83 Ca -0.00 0.10 -0.08 0.00 -0.00 0.00 0.00 57.16 57.18 1a5j n GLU 83 Cb 0.25 -1.51 -0.02 0.00 -0.00 0.00 0.00 31.44 30.16 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 0.59 -0.33 3.84 1.08 0.85 0.13 117.51 123.66 1a5j h ILE 84 Ca -0.56 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.88 1a5j h ILE 84 Cb 2.00 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 1a5j h ILE 84 CO -0.05 0.00 0.08 0.00 -0.69 0.00 0.00 178.15 177.49 1a5j h ALA 85 N 1.04 1.52 -0.32 1.87 0.00 -1.32 -0.82 119.26 121.23 1a5j h ALA 85 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1a5j h ALA 85 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1a5j h ALA 85 CO -0.31 0.36 0.15 0.87 0.00 0.00 0.00 179.25 180.33 1a5j h LYS 86 N 0.48 0.44 -0.01 0.00 1.57 -0.96 0.38 116.57 118.47 1a5j h LYS 86 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1a5j h LYS 86 Cb 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1a5j h LYS 86 CO -0.00 0.35 0.00 1.28 -0.57 0.00 0.00 179.45 180.50 1a5j n LEU 87 N -4.43 0.12 -4.68 2.94 4.77 -0.02 -4.79 117.00 110.90 1a5j n LEU 87 Ca 0.02 -0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 1a5j n LEU 87 Cb 0.11 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1a5j n LEU 87 CO 0.36 0.02 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.39 1a5j s LEU 88 N -1.81 3.33 0.00 2.23 1.43 0.13 -5.00 118.68 118.98 1a5j s LEU 88 Ca 0.39 -0.56 0.22 0.00 -1.03 0.00 0.00 54.13 53.15 1a5j s LEU 88 Cb 0.18 -1.85 1.06 0.00 0.03 0.00 0.00 46.19 45.61 1a5j s LEU 88 CO 0.30 -0.01 1.72 -0.81 0.23 0.00 0.00 176.35 177.79 1a5j n PRO 89 N -0.96 0.20 0.00 1.29 -0.04 -1.26 -4.86 135.00 129.37 1a5j n PRO 89 Ca -0.07 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1a5j n PRO 89 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1a5j n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5j n GLY 90 N 0.68 4.48 1.27 0.55 0.00 -1.26 -5.15 105.19 105.75 1a5j n GLY 90 Ca 0.09 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -2.61 0.03 1.61 5.12 -1.26 -4.62 116.66 114.93 1a5j n ARG 91 Ca 0.00 2.06 0.00 0.00 -1.93 0.00 0.00 57.85 57.98 1a5j n ARG 91 Cb 0.00 -3.18 0.00 0.00 -1.16 0.00 0.00 32.46 28.12 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 -3.99 0.56 0.00 0.55 -2.24 -1.26 -4.78 114.28 103.12 1a5j n THR 92 Ca -0.06 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1a5j n THR 92 Cb 0.59 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 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 -3.01 0.00 0.13 3.42 5.75 -1.26 -4.42 116.55 117.17 1a5j n ASP 93 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.88 1a5j n ASP 93 Cb 0.00 0.06 0.50 0.00 -1.03 0.00 0.00 41.12 40.65 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 -1.63 0.53 -0.03 -1.12 3.02 -1.26 -0.89 115.26 113.88 1a5j n ASN 94 Ca 0.00 0.70 -0.00 0.00 -0.03 0.00 0.00 54.58 55.25 1a5j n ASN 94 Cb 0.00 -0.78 -0.00 0.00 -0.61 0.00 0.00 39.78 38.38 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 2.11 0.00 0.30 5.41 0.00 -1.97 -3.12 119.26 121.99 1a5j h ALA 95 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a5j h ALA 95 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1a5j h ALA 95 CO 0.00 0.04 -0.43 0.28 0.00 0.00 0.00 179.25 179.13 1a5j h VAL 96 N -0.54 0.14 -0.76 0.00 2.07 -1.88 1.07 116.25 116.35 1a5j h VAL 96 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1a5j h VAL 96 Cb 0.04 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 29.85 1a5j h VAL 96 CO 0.00 0.00 -0.45 1.17 0.02 0.00 0.00 177.57 178.31 1a5j n LYS 97 N -5.50 -0.34 0.26 1.57 4.81 -0.06 0.10 118.16 119.00 1a5j n LYS 97 Ca -0.09 1.34 -0.16 0.00 -0.87 0.00 0.00 58.31 58.52 1a5j n LYS 97 Cb 0.40 -1.97 -0.08 0.00 0.02 0.00 0.00 35.03 33.40 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 -0.60 -1.26 3.14 -0.73 -1.41 -0.91 115.58 113.81 1a5j h ASN 98 Ca 0.12 0.03 0.37 0.00 1.87 0.00 0.00 56.30 58.69 1a5j h ASN 98 Cb 0.31 0.17 -0.05 0.00 0.27 0.00 0.00 38.32 39.02 1a5j h ASN 98 CO -0.72 -0.40 1.06 -0.74 -0.37 0.00 0.00 177.43 176.26 1a5j h HIS 99 N -0.64 0.00 0.23 0.67 2.76 0.37 1.30 115.15 119.85 1a5j h HIS 99 Ca -0.05 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 1a5j h HIS 99 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1a5j h HIS 99 CO -0.08 0.00 -0.11 2.35 -1.30 0.00 0.00 177.93 178.79 1a5j h TRP 100 N 0.00 -0.29 0.00 5.26 -0.00 0.22 -2.26 115.95 118.87 1a5j h TRP 100 Ca 0.60 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.48 1a5j h TRP 100 Cb 2.72 0.10 0.00 0.00 -0.00 0.00 0.00 29.16 31.97 1a5j h TRP 100 CO 0.00 -0.18 0.00 0.09 -0.00 0.00 0.00 178.44 178.35 1a5j n ASN 101 N -2.93 0.00 0.00 2.65 3.02 0.57 -1.14 115.26 117.44 1a5j n ASN 101 Ca -0.04 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1a5j n ASN 101 Cb 0.12 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.14 0.00 -0.00 6.41 7.64 0.42 -4.63 113.62 122.32 1a5j n SER 102 Ca 0.11 0.16 0.02 0.00 1.01 0.00 0.00 58.87 60.18 1a5j n SER 102 Cb 0.10 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.49 0.00 -0.22 0.44 -1.04 -0.89 -4.56 114.28 107.52 1a5j n THR 103 Ca 0.00 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.05 61.65 1a5j n THR 103 Cb 0.00 0.68 0.07 0.00 -1.82 0.00 0.00 70.33 69.25 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 -1.40 2.18 -3.28 12.58 5.41 -0.29 -4.58 119.36 129.98 1a5j n ILE 104 Ca -0.00 -1.04 -0.07 0.00 1.00 0.00 0.00 62.75 62.64 1a5j n ILE 104 Cb 0.09 -0.92 -0.05 0.00 -0.71 0.00 0.00 39.64 38.05 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 -1.52 0.43 -0.00 0.38 -0.14 -0.73 -4.61 119.74 113.55 1a5j s LYS 105 Ca 0.26 0.22 -0.00 0.00 -1.36 0.00 0.00 55.97 55.09 1a5j s LYS 105 Cb 0.22 -0.23 -0.00 0.00 -1.68 0.00 0.00 37.83 36.14 1a5j s LYS 105 CO 0.03 -1.01 -0.00 0.00 -0.76 0.00 0.00 175.35 173.61 1a5j h ARG 106 N 8.14 0.00 -4.88 1.68 3.08 -1.91 -3.40 114.38 117.08 1a5j h ARG 106 Ca -0.08 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.47 1a5j h ARG 106 Cb 1.13 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.24 1a5j h ARG 106 CO 0.25 0.00 1.53 1.17 -1.07 0.00 0.00 179.97 181.85 1a5j n LYS 107 N -2.17 0.89 -0.12 0.04 4.81 -1.26 -4.30 118.16 116.05 1a5j n LYS 107 Ca -0.00 -1.68 -0.18 0.00 -0.87 0.00 0.00 58.31 55.57 1a5j n LYS 107 Cb 0.00 -3.06 -0.12 0.00 0.02 0.00 0.00 35.03 31.88 1a5j n LYS 107 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1a5j n VAL 108 N 7.00 1.51 -0.21 3.15 0.31 -1.26 -4.24 118.33 124.59 1a5j n VAL 108 Ca 0.47 -0.57 -0.03 0.00 -0.01 0.00 0.00 64.34 64.20 1a5j n VAL 108 Cb 0.43 -1.45 0.19 0.00 -0.91 0.00 0.00 33.84 32.10 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 -3.29 3.70 0.00 4.52 9.92 -1.26 -5.25 116.55 124.89 1a5j n ASP 109 Ca -0.45 -2.71 0.00 0.00 -0.53 0.00 0.00 54.79 51.10 1a5j n ASP 109 Cb 0.99 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74