#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozj n PRO 10 N 0.00 0.00 -0.47 0.52 -0.04 -1.26 -3.66 135.00 130.08 1ozj n PRO 10 Ca 0.00 0.00 0.39 0.00 -0.04 0.00 0.00 63.50 63.85 1ozj n PRO 10 Cb 0.00 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.14 1ozj n PRO 10 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1ozj h ILE 11 N 0.00 0.15 -0.60 0.52 6.09 -2.05 0.16 117.51 121.79 1ozj h ILE 11 Ca 0.00 -0.03 0.11 0.00 -1.37 0.00 0.00 64.86 63.57 1ozj h ILE 11 Cb 0.00 0.06 -0.08 0.00 0.47 0.00 0.00 36.82 37.27 1ozj h ILE 11 CO 0.00 0.01 0.16 0.58 -3.07 0.00 0.00 178.15 175.84 1ozj h VAL 12 N 0.08 0.69 -0.65 2.19 2.07 -1.97 0.14 116.25 118.80 1ozj h VAL 12 Ca 0.80 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 68.16 1ozj h VAL 12 Cb 2.70 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 1ozj h VAL 12 CO -0.30 0.06 0.18 0.11 0.02 0.00 0.00 177.57 177.64 1ozj h LYS 13 N 0.31 1.03 0.53 1.57 1.79 -0.75 0.17 116.57 121.22 1ozj h LYS 13 Ca 0.31 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1ozj h LYS 13 Cb 0.44 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1ozj h LYS 13 CO -0.37 0.92 -0.36 0.00 -1.08 0.00 0.00 179.45 178.56 1ozj h ARG 14 N 0.96 -0.82 -0.94 3.15 3.08 -1.14 0.48 114.38 119.14 1ozj h ARG 14 Ca 0.21 0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.52 1ozj h ARG 14 Cb 0.34 0.19 -0.08 0.00 0.08 0.00 0.00 29.97 30.50 1ozj h ARG 14 CO -0.00 -0.55 0.61 -0.07 -1.07 0.00 0.00 179.97 178.89 1ozj h LEU 15 N -0.85 0.50 -1.24 3.04 3.38 -0.70 1.57 115.31 121.01 1ozj h LEU 15 Ca -0.07 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ozj h LEU 15 Cb 0.70 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1ozj h LEU 15 CO 0.05 0.19 -0.33 -0.07 0.09 0.00 0.00 178.44 178.37 1ozj h LEU 16 N 0.49 0.09 -1.73 1.67 3.38 0.04 -1.99 115.31 117.26 1ozj h LEU 16 Ca 0.50 -0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.66 1ozj h LEU 16 Cb 1.13 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1ozj h LEU 16 CO -0.23 0.42 0.58 1.23 0.09 0.00 0.00 178.44 180.53 1ozj h GLY 17 N 1.04 0.47 -5.91 0.83 0.00 0.72 -3.36 103.07 96.86 1ozj h GLY 17 Ca 0.01 -0.10 -0.64 0.00 0.00 0.00 0.00 47.33 46.60 1ozj h GLY 17 CO 0.05 -0.00 -0.51 -0.98 0.00 0.00 0.00 176.54 175.10 1ozj s TRP 18 N -5.23 3.44 0.00 5.60 0.52 -0.75 -5.02 118.94 117.51 1ozj s TRP 18 Ca -0.07 0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.41 1ozj s TRP 18 Cb 0.22 -2.03 0.00 0.00 -1.15 0.00 0.00 33.47 30.51 1ozj s TRP 18 CO 0.77 0.47 0.00 0.36 0.02 0.00 0.00 176.95 178.57 1ozj n LYS 19 N 2.78 0.00 -3.87 4.98 2.85 -1.26 -4.83 118.16 118.81 1ozj n LYS 19 Ca -0.18 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 56.99 1ozj n LYS 19 Cb 0.53 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.85 1ozj n LYS 19 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1ozj s LYS 20 N -2.03 1.15 0.00 -1.58 -2.85 -1.18 -4.89 119.74 108.37 1ozj s LYS 20 Ca 0.00 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.94 1ozj s LYS 20 Cb 0.00 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1ozj s LYS 20 CO 0.00 -0.44 0.00 0.41 0.10 0.00 0.00 175.35 175.42 1ozj n GLY 21 N -0.22 0.68 2.12 0.59 0.00 -1.26 -4.55 105.19 102.56 1ozj n GLY 21 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1ozj n GLY 21 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ozj n GLU 22 N -2.00 -0.35 -3.33 1.61 4.07 -1.26 -4.83 120.64 114.54 1ozj n GLU 22 Ca 0.00 0.22 -0.39 0.00 -0.06 0.00 0.00 57.16 56.93 1ozj n GLU 22 Cb 0.00 -0.42 -0.03 0.00 -0.06 0.00 0.00 31.44 30.93 1ozj n GLU 22 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1ozj n GLN 23 N -0.48 3.44 0.00 5.31 0.00 -1.26 -5.04 117.38 119.35 1ozj n GLN 23 Ca -0.04 -4.53 0.00 0.00 -0.00 0.00 0.00 57.00 52.43 1ozj n GLN 23 Cb 0.14 -2.46 0.00 0.00 0.00 0.00 0.00 30.24 27.92 1ozj n GLN 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ozj n ASN 24 N 1.87 0.00 0.00 1.69 3.02 -1.26 -2.82 115.26 117.76 1ozj n ASN 24 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1ozj n ASN 24 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1ozj n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ozj n GLY 25 N 1.21 0.41 0.08 7.41 0.00 -1.26 -3.08 105.19 109.96 1ozj n GLY 25 Ca 0.00 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.18 1ozj n GLY 25 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ozj n GLN 26 N 10.55 0.23 0.14 1.61 -0.06 -1.26 -2.90 117.38 125.68 1ozj n GLN 26 Ca 0.00 0.16 -0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1ozj n GLN 26 Cb 0.00 -1.74 0.17 0.00 -4.06 0.00 0.00 30.24 24.61 1ozj n GLN 26 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1ozj h GLU 27 N 0.00 0.00 -0.14 3.69 4.57 -1.71 -1.41 114.58 119.58 1ozj h GLU 27 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1ozj h GLU 27 Cb 0.70 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1ozj h GLU 27 CO 0.00 0.60 -0.01 1.49 -1.18 0.00 0.00 179.01 179.91 1ozj h GLU 28 N 0.00 0.25 -0.50 1.92 4.57 -1.39 0.45 114.58 119.88 1ozj h GLU 28 Ca -0.01 -0.09 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 1ozj h GLU 28 Cb 1.14 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 1ozj h GLU 28 CO 0.08 0.50 -0.07 -0.22 -1.18 0.00 0.00 179.01 178.12 1ozj h LYS 29 N -0.03 0.89 -0.31 1.92 3.64 -1.61 -2.67 116.57 118.40 1ozj h LYS 29 Ca 0.04 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 1ozj h LYS 29 Cb 0.40 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1ozj h LYS 29 CO 0.01 0.93 0.05 2.35 -2.27 0.00 0.00 179.45 180.52 1ozj h TRP 30 N 0.81 0.55 -0.70 1.91 7.01 -1.14 -1.50 115.95 122.90 1ozj h TRP 30 Ca 0.14 -0.08 0.07 0.00 2.11 0.00 0.00 58.89 61.13 1ozj h TRP 30 Cb 0.59 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 1ozj h TRP 30 CO 0.03 0.60 0.46 0.00 -2.79 0.00 0.00 178.44 176.75 1ozj h GLU 32 N 0.70 0.12 -0.12 0.00 4.81 -1.10 -1.69 114.58 117.30 1ozj h GLU 32 Ca 0.30 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1ozj h GLU 32 Cb 0.28 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1ozj h GLU 32 CO -0.10 0.45 -0.11 0.87 -0.73 0.00 0.00 179.01 179.39 1ozj h LYS 33 N -0.22 -0.13 -0.80 1.92 1.79 -0.29 0.11 116.57 118.95 1ozj h LYS 33 Ca 0.02 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.63 1ozj h LYS 33 Cb 0.40 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 1ozj h LYS 33 CO 0.01 -0.09 0.53 0.00 -1.08 0.00 0.00 179.45 178.82 1ozj h ALA 34 N 0.95 1.95 -0.07 3.86 0.00 -0.65 0.10 119.26 125.41 1ozj h ALA 34 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 1ozj h ALA 34 Cb 0.26 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ozj h ALA 34 CO -0.20 -0.16 -0.93 0.28 0.00 0.00 0.00 179.25 178.24 1ozj h VAL 35 N 0.56 1.28 -0.74 0.00 2.07 -0.31 -2.85 116.25 116.27 1ozj h VAL 35 Ca 0.39 -2.13 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 1ozj h VAL 35 Cb 0.72 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1ozj h VAL 35 CO -0.15 0.67 0.29 0.11 0.02 0.00 0.00 177.57 178.50 1ozj h LYS 36 N 0.46 1.09 -0.09 1.57 1.57 0.44 -0.70 116.57 120.91 1ozj h LYS 36 Ca -0.10 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1ozj h LYS 36 Cb 1.57 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 1ozj h LYS 36 CO 0.19 0.89 0.04 0.77 -0.57 0.00 0.00 179.45 180.77 1ozj h SER 37 N 1.07 0.06 -0.36 0.86 0.02 -0.85 0.04 113.55 114.39 1ozj h SER 37 Ca 0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1ozj h SER 37 Cb 0.21 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1ozj h SER 37 CO -0.02 0.05 0.22 0.25 -1.14 0.00 0.00 176.83 176.19 1ozj h LEU 38 N 0.09 0.43 -0.48 5.07 5.85 -1.24 -2.34 115.31 122.69 1ozj h LEU 38 Ca 0.04 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ozj h LEU 38 Cb 0.01 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1ozj h LEU 38 CO -0.03 0.35 0.29 0.58 -0.34 0.00 0.00 178.44 179.29 1ozj h VAL 39 N 0.47 1.15 -0.77 1.05 2.07 -0.88 0.59 116.25 119.93 1ozj h VAL 39 Ca 0.13 -0.32 0.14 0.00 0.82 0.00 0.00 66.70 67.46 1ozj h VAL 39 Cb -0.01 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.17 1ozj h VAL 39 CO -0.03 0.15 0.34 0.50 0.02 0.00 0.00 177.57 178.55 1ozj h LYS 40 N 0.63 0.49 -0.06 1.57 3.64 -0.70 0.89 116.57 123.03 1ozj h LYS 40 Ca 0.17 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.29 1ozj h LYS 40 Cb -0.01 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1ozj h LYS 40 CO -0.03 0.32 -0.89 0.87 -2.27 0.00 0.00 179.45 177.45 1ozj h LYS 41 N 0.50 0.60 -0.08 1.90 1.57 -0.75 -2.96 116.57 117.35 1ozj h LYS 41 Ca 0.42 -0.57 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 1ozj h LYS 41 Cb 0.61 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1ozj h LYS 41 CO -0.38 1.18 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.98 1ozj h LEU 42 N 0.37 0.35 0.16 2.94 3.38 -0.51 -2.94 115.31 119.07 1ozj h LEU 42 Ca -0.08 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1ozj h LEU 42 Cb 1.51 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 1ozj h LEU 42 CO 0.17 0.90 -0.26 0.11 0.09 0.00 0.00 178.44 179.45 1ozj h LYS 43 N 0.22 -0.47 -0.86 1.13 1.57 -0.85 0.35 116.57 117.66 1ozj h LYS 43 Ca -0.01 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 58.98 1ozj h LYS 43 Cb 1.17 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.48 1ozj h LYS 43 CO 0.10 -0.31 0.40 0.87 -0.57 0.00 0.00 179.45 179.94 1ozj h LYS 44 N -0.49 0.49 -0.41 3.15 1.57 -1.42 0.53 116.57 120.00 1ozj h LYS 44 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ozj h LYS 44 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1ozj h LYS 44 CO -0.12 0.33 0.00 0.25 -0.57 0.00 0.00 179.45 179.34 1ozj n THR 45 N -4.96 0.54 -3.62 -0.16 -2.24 -0.87 -4.96 114.28 98.02 1ozj n THR 45 Ca 0.19 -0.61 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 1ozj n THR 45 Cb 0.53 0.45 0.06 0.00 -2.10 0.00 0.00 70.33 69.26 1ozj n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozj n GLY 46 N 1.30 -0.36 0.00 3.38 0.00 0.10 -4.90 105.19 104.71 1ozj n GLY 46 Ca 0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1ozj n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ozj n GLN 47 N -4.33 0.15 -0.11 1.61 6.02 -0.03 -4.77 117.38 115.91 1ozj n GLN 47 Ca -0.23 -0.76 -0.05 0.00 -0.01 0.00 0.00 57.00 55.94 1ozj n GLN 47 Cb 0.65 -0.98 0.02 0.00 1.02 0.00 0.00 30.24 30.96 1ozj n GLN 47 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1ozj h LEU 48 N 0.00 -0.05 -0.39 1.08 6.46 -1.89 -2.76 115.31 117.75 1ozj h LEU 48 Ca 0.00 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1ozj h LEU 48 Cb 0.17 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.14 1ozj h LEU 48 CO 0.00 0.01 -0.02 0.44 -0.62 0.00 0.00 178.44 178.25 1ozj h ASP 49 N 0.16 -0.20 0.45 1.25 3.32 -1.93 -0.92 116.42 118.54 1ozj h ASP 49 Ca 0.18 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1ozj h ASP 49 Cb 0.23 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ozj h ASP 49 CO -0.27 -0.06 0.00 1.05 -1.72 0.00 0.00 179.24 178.24 1ozj h GLU 50 N 0.08 0.00 0.06 3.56 4.11 -1.85 -0.24 114.58 120.31 1ozj h GLU 50 Ca 0.19 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.45 1ozj h GLU 50 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ozj h GLU 50 CO -0.34 0.00 -0.89 1.25 0.07 0.00 0.00 179.01 179.11 1ozj h LEU 51 N 0.00 0.20 -0.80 3.06 7.12 -0.94 -2.55 115.31 121.40 1ozj h LEU 51 Ca 0.00 -0.83 0.00 0.00 0.13 0.00 0.00 57.88 57.18 1ozj h LEU 51 Cb 0.23 -0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.25 1ozj h LEU 51 CO 0.00 1.38 0.51 -0.08 -0.13 0.00 0.00 178.44 180.12 1ozj h GLU 52 N -0.67 1.08 0.55 1.25 4.81 -0.96 -0.64 114.58 120.00 1ozj h GLU 52 Ca -0.20 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1ozj h GLU 52 Cb 1.42 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1ozj h GLU 52 CO -0.00 0.74 -0.45 -0.22 -0.73 0.00 0.00 179.01 178.34 1ozj h LYS 53 N 1.10 -0.95 -0.70 1.92 3.64 -1.16 -0.69 116.57 119.73 1ozj h LYS 53 Ca 0.29 0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.85 1ozj h LYS 53 Cb -0.08 0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 1ozj h LYS 53 CO -0.06 -0.63 0.31 0.00 -2.27 0.00 0.00 179.45 176.80 1ozj h ALA 54 N -0.76 0.97 -0.04 5.00 0.00 -1.12 0.01 119.26 123.32 1ozj h ALA 54 Ca -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ozj h ALA 54 Cb 0.84 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ozj h ALA 54 CO -0.01 -0.14 0.02 0.82 0.00 0.00 0.00 179.25 179.94 1ozj h ILE 55 N 0.50 1.13 0.00 0.00 1.08 -0.91 -1.49 117.51 117.82 1ozj h ILE 55 Ca 0.36 -0.38 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1ozj h ILE 55 Cb 0.46 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 1ozj h ILE 55 CO -0.32 0.10 -0.24 0.71 -0.69 0.00 0.00 178.15 177.71 1ozj h THR 56 N -0.09 0.50 -0.01 -0.27 1.35 -0.70 -3.27 112.91 110.41 1ozj h THR 56 Ca 0.01 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1ozj h THR 56 Cb 0.15 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1ozj h THR 56 CO -0.00 0.23 -0.34 0.35 -0.25 0.00 0.00 175.52 175.51 1ozj n THR 57 N -3.28 0.00 -2.01 6.82 -2.24 -0.05 -4.95 114.28 108.57 1ozj n THR 57 Ca 0.01 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 1ozj n THR 57 Cb 0.50 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.89 1ozj n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ozj n GLN 58 N -0.19 -2.04 -2.81 -0.78 3.00 -0.56 -4.84 117.38 109.15 1ozj n GLN 58 Ca 0.06 0.38 -0.43 0.00 -0.01 0.00 0.00 57.00 57.00 1ozj n GLN 58 Cb 0.32 -4.78 -0.04 0.00 0.00 0.00 0.00 30.24 25.74 1ozj n GLN 58 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1ozj s ASN 59 N -1.87 6.44 0.21 1.08 2.47 -1.25 -4.94 114.94 117.08 1ozj s ASN 59 Ca 0.00 -0.04 -0.10 0.00 0.42 0.00 0.00 52.86 53.14 1ozj s ASN 59 Cb 0.00 -2.45 0.19 0.00 -1.45 0.00 0.00 41.25 37.53 1ozj s ASN 59 CO 0.00 -1.14 1.86 0.58 -3.72 0.00 0.00 177.10 174.68 1ozj h VAL 60 N 6.07 1.12 0.00 -5.21 2.07 -1.88 -2.97 116.25 115.44 1ozj h VAL 60 Ca -0.25 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1ozj h VAL 60 Cb 1.07 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ozj h VAL 60 CO 1.06 0.16 0.00 -0.46 0.02 0.00 0.00 177.57 178.35 1ozj n ASN 61 N -4.64 1.30 -4.43 0.57 6.94 -1.26 -4.78 115.26 108.97 1ozj n ASN 61 Ca 0.08 -0.99 -0.28 0.00 -0.02 0.00 0.00 54.58 53.37 1ozj n ASN 61 Cb 0.07 -0.25 0.15 0.00 -2.36 0.00 0.00 39.78 37.39 1ozj n ASN 61 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ozj s THR 62 N 0.23 2.06 0.71 5.53 -4.23 -1.12 -5.06 115.64 113.75 1ozj s THR 62 Ca 0.00 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.24 1ozj s THR 62 Cb 0.00 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.95 1ozj s THR 62 CO 0.00 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.63 1ozj s LYS 63 N -5.62 2.82 0.33 3.99 3.01 -1.26 -5.01 119.74 117.98 1ozj s LYS 63 Ca 0.69 0.55 -0.28 0.00 -1.01 0.00 0.00 55.97 55.92 1ozj s LYS 63 Cb -0.06 -2.01 -0.09 0.00 -1.01 0.00 0.00 37.83 34.66 1ozj s LYS 63 CO 0.50 -1.08 1.15 0.00 0.51 0.00 0.00 175.35 176.42 1ozj s ILE 65 N -1.25 3.68 -0.06 0.00 1.01 -1.26 -5.01 121.20 118.31 1ozj s ILE 65 Ca 0.49 -1.32 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 1ozj s ILE 65 Cb -0.32 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1ozj s ILE 65 CO 0.42 -0.28 0.05 -0.89 0.00 0.00 0.00 174.94 174.23 1ozj s THR 66 N 1.35 4.62 0.05 2.92 2.01 -1.26 -0.77 115.64 124.55 1ozj s THR 66 Ca -0.00 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.79 1ozj s THR 66 Cb -0.20 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1ozj s THR 66 CO 0.01 0.51 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.68 1ozj s ILE 67 N -1.02 1.14 0.45 1.82 1.09 -0.40 -4.90 121.20 119.37 1ozj s ILE 67 Ca 0.17 -1.11 -0.25 0.00 -1.10 0.00 0.00 60.65 58.36 1ozj s ILE 67 Cb -0.12 -1.05 -0.08 0.00 -1.06 0.00 0.00 42.46 40.16 1ozj s ILE 67 CO 0.07 -0.06 1.41 -2.84 -0.10 0.00 0.00 174.94 173.42 1ozj s PRO 68 N -1.33 3.67 -0.07 2.79 0.02 -1.26 -0.11 135.00 138.71 1ozj s PRO 68 Ca 0.01 2.38 -0.12 0.00 0.02 0.00 0.00 61.00 63.29 1ozj s PRO 68 Cb -0.09 -2.63 -0.05 0.00 0.02 0.00 0.00 34.50 31.75 1ozj s PRO 68 CO 0.02 -0.82 0.29 -0.98 -0.33 0.00 0.00 177.00 175.18 1ozj s ARG 69 N -2.47 3.77 0.79 5.54 1.70 -0.74 -4.70 118.95 122.83 1ozj s ARG 69 Ca 0.61 0.16 -0.11 0.00 -0.47 0.00 0.00 55.73 55.93 1ozj s ARG 69 Cb -0.43 -3.23 0.08 0.00 -0.57 0.00 0.00 34.95 30.80 1ozj s ARG 69 CO 0.55 0.67 1.14 -1.54 -1.08 0.00 0.00 175.30 175.04 1ozj s SER 70 N -0.87 4.51 0.18 -2.89 1.04 -1.26 -4.93 113.70 109.48 1ozj s SER 70 Ca 0.19 0.65 -0.12 0.00 0.48 0.00 0.00 55.95 57.15 1ozj s SER 70 Cb -0.14 -1.16 0.10 0.00 0.10 0.00 0.00 66.02 64.92 1ozj s SER 70 CO 0.09 -1.86 1.81 -0.07 0.98 0.00 0.00 173.24 174.18 1ozj h LEU 71 N -0.95 0.76 -1.75 2.42 -0.00 -1.98 -2.33 115.31 111.48 1ozj h LEU 71 Ca -0.45 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 1ozj h LEU 71 Cb 1.32 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1ozj h LEU 71 CO 0.63 0.61 0.00 -0.90 -0.00 0.00 0.00 178.44 178.78 1ozj n ASP 72 N -4.58 2.62 0.00 -0.43 5.68 -1.26 -4.95 116.55 113.63 1ozj n ASP 72 Ca 0.05 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1ozj n ASP 72 Cb 0.07 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1ozj n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ozj n GLY 73 N 1.33 2.73 3.90 6.12 0.00 -0.88 -5.03 105.19 113.35 1ozj n GLY 73 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1ozj n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ozj s ARG 74 N -0.09 3.60 -0.00 1.61 0.52 -1.26 -4.43 118.95 118.89 1ozj s ARG 74 Ca 0.00 0.27 0.06 0.00 -0.52 0.00 0.00 55.73 55.54 1ozj s ARG 74 Cb 0.00 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 33.07 1ozj s ARG 74 CO 0.00 -0.16 -0.18 -1.17 0.02 0.00 0.00 175.30 173.80 1ozj s LEU 75 N -4.52 2.06 -0.09 2.53 2.96 0.16 -4.57 118.68 117.22 1ozj s LEU 75 Ca 0.48 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1ozj s LEU 75 Cb -0.10 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1ozj s LEU 75 CO 0.42 0.20 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.92 1ozj s GLN 76 N -0.58 2.99 -0.16 1.98 0.74 -1.26 -0.84 119.66 122.54 1ozj s GLN 76 Ca 0.07 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.75 1ozj s GLN 76 Cb -0.07 -2.49 0.04 0.00 1.10 0.00 0.00 33.01 31.59 1ozj s GLN 76 CO -0.00 0.37 -0.05 0.08 -0.55 0.00 0.00 175.29 175.13 1ozj s VAL 77 N -0.07 1.08 0.00 1.34 1.01 -0.51 -5.00 120.40 118.24 1ozj s VAL 77 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1ozj s VAL 77 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1ozj s VAL 77 CO 0.04 0.17 0.00 -0.24 0.00 0.00 0.00 175.10 175.06 1ozj n SER 78 N 4.89 0.00 -0.00 3.32 2.88 -1.26 -2.18 113.62 121.27 1ozj n SER 78 Ca -0.12 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.50 1ozj n SER 78 Cb 0.48 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.85 1ozj n SER 78 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ozj n HIS 79 N 13.30 0.00 -3.23 0.66 -0.00 -1.26 -4.98 115.22 119.71 1ozj n HIS 79 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 1ozj n HIS 79 Cb 0.00 -0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1ozj n HIS 79 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1ozj s ARG 80 N -2.53 4.09 0.08 -0.41 3.52 -0.93 -5.09 118.95 117.67 1ozj s ARG 80 Ca 0.06 0.65 0.09 0.00 -0.13 0.00 0.00 55.73 56.41 1ozj s ARG 80 Cb 0.12 -2.85 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 1ozj s ARG 80 CO 0.67 0.41 -0.24 0.15 -0.81 0.00 0.00 175.30 175.48 1ozj s LYS 81 N -2.09 1.74 0.15 5.12 1.02 -1.26 -1.42 119.74 122.99 1ozj s LYS 81 Ca 0.42 -1.16 -0.24 0.00 0.02 0.00 0.00 55.97 55.01 1ozj s LYS 81 Cb -0.15 -2.02 0.08 0.00 -0.52 0.00 0.00 37.83 35.22 1ozj s LYS 81 CO 0.20 0.50 1.08 0.20 -0.92 0.00 0.00 175.35 176.40 1ozj s GLY 82 N -1.64 0.03 0.04 -3.33 0.00 -0.02 -4.96 107.32 97.45 1ozj s GLY 82 Ca 0.14 -0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.42 1ozj s GLY 82 CO 0.05 2.65 0.70 1.08 0.00 0.00 0.00 173.10 177.58 1ozj s LEU 83 N -3.42 4.46 0.12 0.66 1.43 -1.26 0.38 118.68 121.05 1ozj s LEU 83 Ca 0.22 1.37 -0.27 0.00 -1.03 0.00 0.00 54.13 54.42 1ozj s LEU 83 Cb -0.02 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 1ozj s LEU 83 CO 0.04 0.08 1.62 -0.65 0.23 0.00 0.00 176.35 177.67 1ozj h PRO 84 N 5.45 -0.44 -0.89 1.29 0.11 -1.91 -0.34 132.00 135.26 1ozj h PRO 84 Ca -0.45 0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.72 1ozj h PRO 84 Cb 1.20 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 1ozj h PRO 84 CO 0.69 -0.29 0.59 1.12 -0.21 0.00 0.00 178.00 179.90 1ozj h HIS 85 N -0.45 1.09 -0.65 0.65 2.07 -1.92 -0.83 115.15 115.10 1ozj h HIS 85 Ca 0.06 0.03 -0.08 0.00 -2.85 0.00 0.00 60.37 57.53 1ozj h HIS 85 Cb 0.54 -0.36 -0.03 0.00 2.57 0.00 0.00 27.41 30.12 1ozj h HIS 85 CO -0.32 0.64 0.11 0.28 -3.07 0.00 0.00 177.93 175.56 1ozj h VAL 86 N 1.13 1.26 -0.25 6.12 2.07 -1.87 -1.05 116.25 123.66 1ozj h VAL 86 Ca 0.35 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1ozj h VAL 86 Cb -0.01 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1ozj h VAL 86 CO -0.10 0.38 0.00 0.40 0.02 0.00 0.00 177.57 178.27 1ozj h ILE 87 N 0.99 1.25 0.00 4.57 2.04 0.21 -2.22 117.51 124.36 1ozj h ILE 87 Ca 0.20 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 1ozj h ILE 87 Cb 0.42 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1ozj h ILE 87 CO 0.01 0.28 -0.43 1.88 0.00 0.00 0.00 178.15 179.90 1ozj h TYR 88 N 0.22 0.00 0.00 1.37 -1.99 -1.17 -2.21 116.97 113.19 1ozj h TYR 88 Ca 0.07 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.59 1ozj h TYR 88 Cb 0.40 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 1ozj h TYR 88 CO 0.03 0.39 -0.91 0.00 -0.00 0.00 0.00 178.16 177.67 1ozj h ARG 90 N 0.18 0.00 0.18 0.00 2.43 -1.40 0.20 114.38 115.97 1ozj h ARG 90 Ca -0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1ozj h ARG 90 Cb 1.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1ozj h ARG 90 CO 0.15 0.39 -0.09 1.25 -1.51 0.00 0.00 179.97 180.17 1ozj h LEU 91 N 0.00 -0.21 -0.70 3.80 6.46 -1.16 -2.95 115.31 120.56 1ozj h LEU 91 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1ozj h LEU 91 Cb 0.84 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1ozj h LEU 91 CO 0.05 -0.04 -0.12 0.79 -0.62 0.00 0.00 178.44 178.51 1ozj n TRP 92 N -3.27 0.00 0.09 1.25 8.01 -0.82 -3.08 117.44 119.62 1ozj n TRP 92 Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 1ozj n TRP 92 Cb 0.10 -0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 1ozj n TRP 92 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1ozj n ARG 93 N -0.28 0.00 -3.73 -0.99 5.12 0.33 -4.74 116.66 112.37 1ozj n ARG 93 Ca 0.16 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.79 1ozj n ARG 93 Cb 0.34 -0.25 -0.13 0.00 -1.16 0.00 0.00 32.46 31.27 1ozj n ARG 93 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1ozj s TRP 94 N -2.00 2.18 0.10 -1.55 0.51 0.42 -4.96 118.94 113.64 1ozj s TRP 94 Ca 0.00 -2.57 0.28 0.00 -2.12 0.00 0.00 56.10 51.69 1ozj s TRP 94 Cb 0.00 -1.98 1.54 0.00 -0.81 0.00 0.00 33.47 32.21 1ozj s TRP 94 CO 0.00 -0.76 1.86 -1.00 -0.51 0.00 0.00 176.95 176.54 1ozj h PRO 95 N 6.50 0.00 -0.00 4.98 0.13 -1.76 0.37 132.00 142.22 1ozj h PRO 95 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1ozj h PRO 95 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ozj h PRO 95 CO 0.52 0.00 -0.65 -0.40 -0.23 0.00 0.00 178.00 177.23 1ozj n ASP 96 N -2.51 1.15 -4.50 1.44 5.75 -1.26 -4.98 116.55 111.64 1ozj n ASP 96 Ca -0.02 -0.95 -0.49 0.00 -0.01 0.00 0.00 54.79 53.33 1ozj n ASP 96 Cb 0.07 0.58 -0.04 0.00 -1.03 0.00 0.00 41.12 40.71 1ozj n ASP 96 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1ozj n LEU 97 N -1.01 0.23 -0.10 -2.12 7.94 0.12 -4.94 117.00 117.13 1ozj n LEU 97 Ca 0.07 1.15 -0.21 0.00 -1.11 0.00 0.00 56.01 55.91 1ozj n LEU 97 Cb 0.37 -1.08 -0.07 0.00 0.53 0.00 0.00 43.42 43.17 1ozj n LEU 97 CO 0.35 -2.11 -1.15 1.41 -1.11 0.00 0.00 177.39 174.78 1ozj n HIS 98 N 0.57 0.00 -4.08 1.96 8.25 -1.26 -5.03 115.22 115.63 1ozj n HIS 98 Ca 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 1ozj n HIS 98 Cb 0.24 -0.69 -0.07 0.00 1.12 0.00 0.00 29.99 30.60 1ozj n HIS 98 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ozj s SER 99 N -6.72 0.15 0.08 0.41 1.04 -1.26 -5.02 113.70 102.37 1ozj s SER 99 Ca -0.27 -1.17 0.13 0.00 0.48 0.00 0.00 55.95 55.12 1ozj s SER 99 Cb 0.10 0.53 0.57 0.00 0.10 0.00 0.00 66.02 67.32 1ozj s SER 99 CO 0.34 -1.06 1.40 0.00 0.98 0.00 0.00 173.24 174.90 1ozj n HIS 100 N -0.37 0.22 0.91 5.02 1.44 -1.26 -1.87 115.22 119.30 1ozj n HIS 100 Ca 0.00 0.09 0.11 0.00 -2.01 0.00 0.00 57.72 55.92 1ozj n HIS 100 Cb 0.63 -0.65 0.53 0.00 0.12 0.00 0.00 29.99 30.61 1ozj n HIS 100 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1ozj n HIS 101 N -1.71 0.00 1.02 -1.40 8.25 -1.26 -1.85 115.22 118.28 1ozj n HIS 101 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 1ozj n HIS 101 Cb 0.12 -0.42 0.07 0.00 1.12 0.00 0.00 29.99 30.89 1ozj n HIS 101 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ozj n GLU 102 N -1.42 1.76 -4.31 -0.41 1.02 -0.78 -4.84 120.64 111.66 1ozj n GLU 102 Ca 0.08 -1.44 -0.35 0.00 -0.02 0.00 0.00 57.16 55.43 1ozj n GLU 102 Cb 0.23 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 1ozj n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ozj s LEU 103 N -2.23 3.58 -0.15 -4.62 1.02 -0.77 0.86 118.68 116.36 1ozj s LEU 103 Ca 0.24 0.09 -0.01 0.00 0.02 0.00 0.00 54.13 54.47 1ozj s LEU 103 Cb 0.19 -1.84 0.04 0.00 0.02 0.00 0.00 46.19 44.60 1ozj s LEU 103 CO 0.43 0.31 -0.04 -0.13 0.02 0.00 0.00 176.35 176.94 1ozj s ARG 104 N -0.46 1.24 0.31 1.70 3.00 -0.26 -4.91 118.95 119.57 1ozj s ARG 104 Ca 0.08 -0.41 -0.29 0.00 0.00 0.00 0.00 55.73 55.11 1ozj s ARG 104 Cb -0.12 -1.87 -0.10 0.00 0.00 0.00 0.00 34.95 32.86 1ozj s ARG 104 CO 0.02 -0.43 1.18 0.00 0.00 0.00 0.00 175.30 176.07 1ozj s ALA 105 N 1.71 3.42 0.92 2.13 0.00 -1.26 -0.71 121.76 127.97 1ozj s ALA 105 Ca 0.01 1.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 1ozj s ALA 105 Cb -0.15 -3.39 0.14 0.00 0.00 0.00 0.00 23.12 19.73 1ozj s ALA 105 CO -0.07 -0.36 1.17 -1.64 0.00 0.00 0.00 175.76 174.85 1ozj s MET 106 N -1.64 1.09 0.37 0.00 1.00 -0.03 -4.91 119.30 115.17 1ozj s MET 106 Ca 0.47 0.14 0.19 0.00 0.00 0.00 0.00 55.69 56.49 1ozj s MET 106 Cb -0.35 -1.85 0.65 0.00 0.00 0.00 0.00 34.83 33.28 1ozj s MET 106 CO 0.45 -2.20 1.71 0.93 0.00 0.00 0.00 175.02 175.91 1ozj h GLU 107 N -1.50 0.00 0.00 2.03 5.08 -1.95 -3.06 114.58 115.18 1ozj h GLU 107 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ozj h GLU 107 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1ozj h GLU 107 CO 0.58 0.37 0.00 1.37 -1.00 0.00 0.00 179.01 180.33 1ozj h LEU 108 N 0.00 0.00 -9.01 1.33 -0.00 -1.94 -3.42 115.31 102.26 1ozj h LEU 108 Ca -0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.30 1ozj h LEU 108 Cb 0.93 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.53 1ozj h LEU 108 CO 0.05 0.00 0.89 0.00 -0.00 0.00 0.00 178.44 179.38 1ozj h GLU 110 N 8.37 0.08 -0.84 0.00 5.08 -1.89 -3.37 114.58 122.02 1ozj h GLU 110 Ca -0.23 -0.14 -0.54 0.00 -1.00 0.00 0.00 59.36 57.45 1ozj h GLU 110 Cb 1.08 0.05 -0.29 0.00 0.50 0.00 0.00 28.75 30.09 1ozj h GLU 110 CO 1.01 0.84 0.33 1.19 -1.00 0.00 0.00 179.01 181.38 1ozj n PHE 111 N -3.26 2.73 -1.62 4.33 3.01 -1.26 -4.98 117.46 116.40 1ozj n PHE 111 Ca -0.13 -2.41 -0.41 0.00 1.01 0.00 0.00 57.45 55.52 1ozj n PHE 111 Cb 1.02 -0.97 0.02 0.00 -0.01 0.00 0.00 39.48 39.54 1ozj n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ozj n ALA 112 N -0.96 0.36 -0.19 4.37 0.00 -1.26 -0.29 120.51 122.54 1ozj n ALA 112 Ca 0.53 0.21 0.09 0.00 0.00 0.00 0.00 53.44 54.28 1ozj n ALA 112 Cb 0.98 -2.11 0.39 0.00 0.00 0.00 0.00 19.45 18.71 1ozj n ALA 112 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ozj h PHE 113 N 1.50 0.70 0.00 0.00 3.57 -1.90 -1.35 116.94 119.46 1ozj h PHE 113 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1ozj h PHE 113 Cb 1.33 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1ozj h PHE 113 CO 0.43 0.33 0.00 -1.71 -2.23 0.00 0.00 178.31 175.13 1ozj n ASN 114 N -4.50 0.32 0.08 0.41 5.15 -1.26 -2.33 115.26 113.13 1ozj n ASN 114 Ca 0.12 0.62 0.12 0.00 -0.60 0.00 0.00 54.58 54.84 1ozj n ASN 114 Cb 0.34 -0.67 0.09 0.00 -0.53 0.00 0.00 39.78 39.01 1ozj n ASN 114 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1ozj h MET 115 N 0.00 0.00 -3.80 1.20 2.86 -1.58 -3.48 114.93 110.13 1ozj h MET 115 Ca 0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 1ozj h MET 115 Cb 0.13 0.00 0.06 0.00 0.06 0.00 0.00 31.60 31.85 1ozj h MET 115 CO 0.00 0.00 -0.50 1.63 1.06 0.00 0.00 176.91 179.10 1ozj n LYS 116 N -2.31 -4.19 0.00 1.72 5.02 -0.98 -5.02 118.16 112.39 1ozj n LYS 116 Ca 0.02 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1ozj n LYS 116 Cb 0.48 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 1ozj n LYS 116 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ozj n LYS 117 N -3.47 0.22 0.09 1.97 5.02 -1.26 -4.96 118.16 115.77 1ozj n LYS 117 Ca -0.08 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.33 1ozj n LYS 117 Cb 0.59 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.80 1ozj n LYS 117 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ozj h ASP 118 N -0.11 0.00 -4.27 4.39 5.19 -1.95 -3.46 116.42 116.21 1ozj h ASP 118 Ca 0.00 -0.13 -0.63 0.00 -0.62 0.00 0.00 57.03 55.65 1ozj h ASP 118 Cb 0.00 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 39.25 1ozj h ASP 118 CO 0.00 0.07 -0.86 -1.61 -3.12 0.00 0.00 179.24 173.72 1ozj s GLU 119 N -3.18 1.55 -0.05 3.56 0.41 -1.26 -1.80 118.70 117.93 1ozj s GLU 119 Ca 0.06 -1.04 0.06 0.00 -0.41 0.00 0.00 54.97 53.64 1ozj s GLU 119 Cb 0.12 -1.71 -0.02 0.00 -1.78 0.00 0.00 34.13 30.74 1ozj s GLU 119 CO 0.70 0.44 -0.23 0.08 -0.49 0.00 0.00 175.26 175.76 1ozj s VAL 120 N -0.83 2.28 -0.11 2.63 1.01 0.85 -4.80 120.40 121.43 1ozj s VAL 120 Ca 0.10 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 1ozj s VAL 120 Cb -0.09 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1ozj s VAL 120 CO 0.02 0.58 0.54 0.00 0.00 0.00 0.00 175.10 176.23 1ozj n VAL 122 N 3.78 1.61 -1.74 0.00 0.24 0.05 -4.63 118.33 117.63 1ozj n VAL 122 Ca -0.05 -1.74 -0.43 0.00 -2.04 0.00 0.00 64.34 60.08 1ozj n VAL 122 Cb 0.51 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 1ozj n VAL 122 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1ozj s ASN 123 N -2.04 5.89 0.43 -1.34 3.84 -1.25 -4.81 114.94 115.66 1ozj s ASN 123 Ca 0.23 1.99 0.29 0.00 0.21 0.00 0.00 52.86 55.58 1ozj s ASN 123 Cb 0.19 -2.52 1.58 0.00 -0.55 0.00 0.00 41.25 39.95 1ozj s ASN 123 CO 0.04 -1.60 1.90 1.55 -2.79 0.00 0.00 177.10 176.20 1ozj h PRO 124 N 13.05 0.00 -0.63 0.43 0.13 -1.93 -1.57 132.00 141.47 1ozj h PRO 124 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ozj h PRO 124 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ozj h PRO 124 CO 0.97 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.40 1ozj n TYR 125 N -2.53 1.25 0.47 1.56 4.02 -1.26 -3.85 117.16 116.82 1ozj n TYR 125 Ca -0.02 -0.48 0.09 0.00 -0.01 0.00 0.00 57.90 57.48 1ozj n TYR 125 Cb 0.05 -0.24 0.12 0.00 -0.02 0.00 0.00 39.34 39.25 1ozj n TYR 125 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1ozj n HIS 126 N 0.79 0.19 -4.33 -0.72 8.25 -0.59 -4.57 115.22 114.24 1ozj n HIS 126 Ca 0.20 -0.13 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 1ozj n HIS 126 Cb 0.77 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.74 1ozj n HIS 126 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1ozj s TYR 127 N -1.36 1.44 0.16 4.41 1.51 -1.25 -0.85 117.35 121.41 1ozj s TYR 127 Ca 0.25 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 56.00 1ozj s TYR 127 Cb 0.16 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 1ozj s TYR 127 CO 0.23 0.09 -0.14 -0.65 -1.11 0.00 0.00 175.55 173.97 1ozj s GLN 128 N -1.48 1.90 -0.21 -0.62 -0.21 0.12 -4.92 119.66 114.24 1ozj s GLN 128 Ca 0.03 -1.29 -0.15 0.00 0.02 0.00 0.00 55.36 53.97 1ozj s GLN 128 Cb -0.09 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 1ozj s GLN 128 CO 0.02 0.44 0.37 0.50 -2.12 0.00 0.00 175.29 174.50 1ozj s ARG 129 N -2.61 4.16 -0.04 2.91 3.52 -1.26 -1.10 118.95 124.53 1ozj s ARG 129 Ca 0.22 0.14 -0.19 0.00 -0.13 0.00 0.00 55.73 55.77 1ozj s ARG 129 Cb -0.09 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 1ozj s ARG 129 CO 0.13 -0.03 0.54 0.08 -0.81 0.00 0.00 175.30 175.21 1ozj s VAL 130 N 1.29 5.01 -0.85 7.11 1.01 0.25 -4.92 120.40 129.30 1ozj s VAL 130 Ca 0.17 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1ozj s VAL 130 Cb -0.15 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1ozj s VAL 130 CO 0.07 0.41 0.42 1.21 0.00 0.00 0.00 175.10 177.22 1ozj n GLU 131 N 2.90 0.73 0.00 2.72 4.07 -1.26 -4.73 120.64 125.06 1ozj n GLU 131 Ca -0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 1ozj n GLU 131 Cb 0.51 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 1ozj n GLU 131 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70