#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozo n THR 2 N 0.00 0.00 0.26 2.03 -2.24 -1.26 -4.82 114.28 108.25 1ozo n THR 2 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1ozo n THR 2 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1ozo n THR 2 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ozo h GLU 3 N 0.00 -0.92 -0.18 -0.78 5.08 -2.03 0.97 114.58 116.72 1ozo h GLU 3 Ca 0.00 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1ozo h GLU 3 Cb 0.00 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1ozo h GLU 3 CO 0.00 -0.61 -0.15 1.25 -1.00 0.00 0.00 179.01 178.50 1ozo h LEU 4 N -0.95 -0.51 -0.42 1.33 6.46 -1.98 0.60 115.31 119.83 1ozo h LEU 4 Ca -0.05 0.07 -0.18 0.00 -0.12 0.00 0.00 57.88 57.61 1ozo h LEU 4 Cb 0.85 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 1ozo h LEU 4 CO -0.11 -0.08 -0.77 -0.33 -0.62 0.00 0.00 178.44 176.53 1ozo h GLU 5 N -0.05 0.21 0.07 1.25 5.08 -1.91 -1.05 114.58 118.18 1ozo h GLU 5 Ca 0.03 -0.19 -0.28 0.00 -1.00 0.00 0.00 59.36 57.92 1ozo h GLU 5 Cb 0.13 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.44 1ozo h GLU 5 CO -0.20 0.88 -1.14 0.00 -1.00 0.00 0.00 179.01 177.55 1ozo h ALA 6 N 1.06 0.10 -0.27 3.43 0.00 -0.80 -0.02 119.26 122.76 1ozo h ALA 6 Ca -0.03 -0.75 0.03 0.00 0.00 0.00 0.00 54.91 54.16 1ozo h ALA 6 Cb 1.35 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1ozo h ALA 6 CO 0.12 0.73 0.10 0.00 0.00 0.00 0.00 179.25 180.19 1ozo h ALA 7 N 0.41 0.30 0.00 0.00 0.00 -0.84 -0.59 119.26 118.55 1ozo h ALA 7 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ozo h ALA 7 Cb 1.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1ozo h ALA 7 CO 0.22 -0.31 0.00 -0.12 0.00 0.00 0.00 179.25 179.03 1ozo n MET 8 N -5.03 0.62 -0.04 0.00 0.00 -0.40 -0.45 117.12 111.81 1ozo n MET 8 Ca -0.01 0.02 -0.13 0.00 0.00 0.00 0.00 57.70 57.58 1ozo n MET 8 Cb 0.09 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 31.81 1ozo n MET 8 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1ozo h GLY 9 N 3.88 0.82 1.28 -5.12 0.00 0.44 -3.31 103.07 101.07 1ozo h GLY 9 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.34 1ozo h GLY 9 CO 0.00 0.87 0.31 -0.33 0.00 0.00 0.00 176.54 177.38 1ozo h MET 10 N 0.57 0.93 0.00 4.80 2.86 0.67 0.30 114.93 125.06 1ozo h MET 10 Ca 0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1ozo h MET 10 Cb 1.15 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1ozo h MET 10 CO 0.12 0.72 -0.07 -0.84 1.06 0.00 0.00 176.91 177.90 1ozo h ILE 11 N 0.92 0.00 0.10 -1.22 -2.65 -1.68 0.11 117.51 113.09 1ozo h ILE 11 Ca 0.23 -0.65 -0.27 0.00 1.03 0.00 0.00 64.86 65.20 1ozo h ILE 11 Cb 0.10 1.61 0.01 0.00 -2.05 0.00 0.00 36.82 36.49 1ozo h ILE 11 CO -0.03 0.00 -1.17 0.40 0.03 0.00 0.00 178.15 177.38 1ozo h ILE 12 N 0.00 1.41 -0.83 0.16 2.04 -1.57 -3.33 117.51 115.39 1ozo h ILE 12 Ca 0.00 -2.74 0.11 0.00 1.00 0.00 0.00 64.86 63.24 1ozo h ILE 12 Cb 0.83 2.75 -0.06 0.00 -0.74 0.00 0.00 36.82 39.59 1ozo h ILE 12 CO 0.00 0.81 0.54 -0.78 0.00 0.00 0.00 178.15 178.72 1ozo h ASP 13 N 0.16 0.66 -0.64 1.72 3.58 0.35 0.65 116.42 122.92 1ozo h ASP 13 Ca -0.14 0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.44 1ozo h ASP 13 Cb 1.86 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 42.75 1ozo h ASP 13 CO 0.20 0.37 0.42 1.62 -2.88 0.00 0.00 179.24 178.98 1ozo h VAL 14 N 0.72 0.90 -0.49 2.25 3.04 -0.92 0.44 116.25 122.19 1ozo h VAL 14 Ca 0.40 -0.16 -0.12 0.00 -1.01 0.00 0.00 66.70 65.81 1ozo h VAL 14 Cb 0.54 0.40 -0.02 0.00 -2.01 0.00 0.00 31.29 30.20 1ozo h VAL 14 CO -0.16 0.08 -0.16 0.15 -1.01 0.00 0.00 177.57 176.48 1ozo h PHE 15 N 0.46 1.06 0.00 3.17 3.57 -1.04 0.07 116.94 124.23 1ozo h PHE 15 Ca 0.29 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1ozo h PHE 15 Cb 0.53 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 1ozo h PHE 15 CO -0.00 1.02 -0.05 1.03 -2.23 0.00 0.00 178.31 178.08 1ozo h SER 16 N 0.83 0.00 0.16 0.41 0.87 0.22 0.16 113.55 116.20 1ozo h SER 16 Ca 0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1ozo h SER 16 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1ozo h SER 16 CO 0.05 0.05 -0.08 0.03 -0.53 0.00 0.00 176.83 176.36 1ozo h ARG 17 N 0.00 -0.21 0.00 2.24 2.47 0.23 -3.09 114.38 116.01 1ozo h ARG 17 Ca -0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1ozo h ARG 17 Cb 0.12 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1ozo h ARG 17 CO 0.01 0.11 -1.52 0.66 0.56 0.00 0.00 179.97 179.79 1ozo n TYR 18 N -4.91 0.00 0.12 3.04 4.01 -0.04 -3.31 117.16 116.07 1ozo n TYR 18 Ca -0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1ozo n TYR 18 Cb 0.21 -0.28 0.01 0.00 -0.31 0.00 0.00 39.34 38.97 1ozo n TYR 18 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ozo h SER 19 N 0.00 0.00 0.00 7.72 4.64 -0.91 -3.46 113.55 121.53 1ozo h SER 19 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ozo h SER 19 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1ozo h SER 19 CO 0.00 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 1ozo n GLY 20 N 1.25 2.19 0.00 -0.77 0.00 -0.60 -0.38 105.19 106.88 1ozo n GLY 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ozo n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozo n SER 21 N 0.00 0.00 -3.78 1.61 7.64 -1.24 -4.79 113.62 113.06 1ozo n SER 21 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1ozo n SER 21 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1ozo n SER 21 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ozo s GLU 22 N 0.00 0.13 0.00 1.43 2.02 -1.22 -4.48 118.70 116.59 1ozo s GLU 22 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.28 1ozo s GLU 22 Cb 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.18 1ozo s GLU 22 CO 0.00 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1ozo n GLY 23 N 3.60 0.50 0.19 -1.39 0.00 0.49 -4.85 105.19 103.73 1ozo n GLY 23 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ozo n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozo n SER 24 N -0.93 0.00 -1.38 1.61 7.64 -1.26 -5.03 113.62 114.26 1ozo n SER 24 Ca 0.00 -1.15 0.18 0.00 1.01 0.00 0.00 58.87 58.91 1ozo n SER 24 Cb 0.00 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 1ozo n SER 24 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ozo n THR 25 N 0.00 0.00 -1.19 0.44 -2.24 -1.26 -4.69 114.28 105.34 1ozo n THR 25 Ca 0.00 0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.61 1ozo n THR 25 Cb 0.53 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 1ozo n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ozo n GLN 26 N -4.17 1.65 -3.91 -0.78 10.64 -1.26 -4.70 117.38 114.85 1ozo n GLN 26 Ca -0.02 -1.90 -0.10 0.00 -1.83 0.00 0.00 57.00 53.15 1ozo n GLN 26 Cb 0.64 -2.94 -0.09 0.00 -0.86 0.00 0.00 30.24 26.99 1ozo n GLN 26 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1ozo s THR 27 N 4.78 0.13 -0.51 -0.39 -4.23 -1.26 -4.32 115.64 109.83 1ozo s THR 27 Ca 0.56 -1.06 -0.22 0.00 -1.18 0.00 0.00 61.69 59.79 1ozo s THR 27 Cb 0.14 -0.90 0.04 0.00 1.34 0.00 0.00 72.50 73.13 1ozo s THR 27 CO 0.09 -0.58 0.79 -0.76 -0.54 0.00 0.00 174.62 173.62 1ozo s LEU 28 N -2.12 4.44 0.76 4.79 1.02 0.97 -4.40 118.68 124.15 1ozo s LEU 28 Ca -0.05 -0.51 -0.11 0.00 0.02 0.00 0.00 54.13 53.48 1ozo s LEU 28 Cb -0.01 -2.71 0.05 0.00 0.02 0.00 0.00 46.19 43.54 1ozo s LEU 28 CO -0.04 -1.04 1.08 0.28 0.02 0.00 0.00 176.35 176.65 1ozo s THR 29 N 3.33 3.44 0.32 5.49 -1.32 -1.26 -1.16 115.64 124.48 1ozo s THR 29 Ca 0.25 0.47 0.08 0.00 -1.21 0.00 0.00 61.69 61.28 1ozo s THR 29 Cb -0.15 -3.02 0.31 0.00 -1.51 0.00 0.00 72.50 68.13 1ozo s THR 29 CO 0.17 -0.61 1.75 0.50 -2.21 0.00 0.00 174.62 174.22 1ozo h LYS 30 N -1.06 0.64 0.00 7.08 3.64 -1.94 0.15 116.57 125.07 1ozo h LYS 30 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ozo h LYS 30 Cb 1.23 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1ozo h LYS 30 CO 0.53 0.42 0.00 0.41 -2.27 0.00 0.00 179.45 178.54 1ozo n GLY 31 N -1.33 -1.39 0.27 5.01 0.00 -1.26 -2.91 105.19 103.57 1ozo n GLY 31 Ca 0.25 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 1ozo n GLY 31 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ozo n GLU 32 N -2.06 0.50 -0.33 1.61 2.13 0.03 -4.48 120.64 118.05 1ozo n GLU 32 Ca 0.04 0.22 0.25 0.00 0.66 0.00 0.00 57.16 58.33 1ozo n GLU 32 Cb 0.29 -1.34 0.49 0.00 0.27 0.00 0.00 31.44 31.15 1ozo n GLU 32 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ozo h LEU 33 N -0.85 0.32 -1.39 4.31 6.46 -0.91 -0.85 115.31 122.40 1ozo h LEU 33 Ca -0.58 0.23 0.02 0.00 -0.12 0.00 0.00 57.88 57.42 1ozo h LEU 33 Cb 1.51 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 41.63 1ozo h LEU 33 CO -0.35 -0.27 0.43 0.07 -0.62 0.00 0.00 178.44 177.70 1ozo h LYS 34 N 0.17 0.79 -0.10 1.25 2.10 -1.75 -3.18 116.57 115.84 1ozo h LYS 34 Ca 0.75 -0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 59.25 1ozo h LYS 34 Cb 1.82 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 32.95 1ozo h LYS 34 CO -0.70 0.52 -0.40 0.28 -2.00 0.00 0.00 179.45 177.15 1ozo h VAL 35 N 0.82 1.31 -0.24 0.07 2.07 -1.40 -1.31 116.25 117.55 1ozo h VAL 35 Ca 0.25 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 1ozo h VAL 35 Cb 0.01 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1ozo h VAL 35 CO -0.07 0.45 -0.20 0.25 0.02 0.00 0.00 177.57 178.03 1ozo h LEU 36 N 0.19 0.43 0.05 2.57 5.85 -1.67 -3.39 115.31 119.35 1ozo h LEU 36 Ca 0.02 -0.13 -0.24 0.00 0.84 0.00 0.00 57.88 58.37 1ozo h LEU 36 Cb 0.80 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1ozo h LEU 36 CO 0.06 0.64 -1.12 0.24 -0.34 0.00 0.00 178.44 177.93 1ozo h MET 37 N 0.40 0.14 0.00 1.25 2.86 -1.23 0.13 114.93 118.47 1ozo h MET 37 Ca 0.07 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1ozo h MET 37 Cb 0.57 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1ozo h MET 37 CO 0.04 1.11 -0.01 0.93 1.06 0.00 0.00 176.91 180.03 1ozo h GLU 38 N 0.04 0.00 0.00 1.72 5.08 -1.75 -2.29 114.58 117.39 1ozo h GLU 38 Ca -0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 1ozo h GLU 38 Cb 1.86 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 1ozo h GLU 38 CO 0.17 0.01 -1.28 1.63 -1.00 0.00 0.00 179.01 178.54 1ozo n LYS 39 N -3.56 0.35 0.00 2.33 4.76 -1.02 -4.41 118.16 116.61 1ozo n LYS 39 Ca -0.03 0.15 0.05 0.00 -2.87 0.00 0.00 58.31 55.61 1ozo n LYS 39 Cb 0.10 -1.10 -0.04 0.00 -1.84 0.00 0.00 35.03 32.15 1ozo n LYS 39 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ozo n GLU 40 N -3.95 2.91 -1.38 1.97 -0.58 0.42 -4.47 120.64 115.56 1ozo n GLU 40 Ca -0.21 -0.21 0.01 0.00 -0.42 0.00 0.00 57.16 56.33 1ozo n GLU 40 Cb 0.53 -1.06 0.09 0.00 -0.57 0.00 0.00 31.44 30.43 1ozo n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ozo n LEU 41 N -0.93 2.14 -4.63 -4.62 4.32 -1.04 -5.01 117.00 107.23 1ozo n LEU 41 Ca 0.03 -3.13 -0.58 0.00 -0.02 0.00 0.00 56.01 52.31 1ozo n LEU 41 Cb 0.20 -0.18 -0.08 0.00 -1.62 0.00 0.00 43.42 41.74 1ozo n LEU 41 CO 0.20 1.08 1.42 -2.65 -1.22 0.00 0.00 177.39 176.22 1ozo n PRO 42 N -0.37 0.93 0.00 3.23 -0.01 -0.89 -2.37 135.00 135.52 1ozo n PRO 42 Ca 0.15 0.32 0.00 0.00 -0.01 0.00 0.00 63.50 63.97 1ozo n PRO 42 Cb 0.92 -2.05 0.00 0.00 -0.01 0.00 0.00 33.50 32.36 1ozo n PRO 42 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ozo n GLY 43 N 4.86 3.99 0.28 -1.23 0.00 -1.26 -4.79 105.19 107.04 1ozo n GLY 43 Ca 0.32 -0.92 0.19 0.00 0.00 0.00 0.00 46.02 45.61 1ozo n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ozo h PHE 44 N 0.00 0.00 0.00 1.61 0.04 -1.82 -1.92 116.94 114.85 1ozo h PHE 44 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ozo h PHE 44 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1ozo h PHE 44 CO 0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 1ozo n LEU 45 N -2.95 0.00 0.32 1.54 7.99 -1.26 -1.11 117.00 121.52 1ozo n LEU 45 Ca -0.01 0.44 0.21 0.00 -0.01 0.00 0.00 56.01 56.64 1ozo n LEU 45 Cb 0.17 -0.44 1.05 0.00 -0.11 0.00 0.00 43.42 44.09 1ozo n LEU 45 CO 0.22 -0.37 1.12 1.56 -1.51 0.00 0.00 177.39 178.42 1ozo h GLN 46 N 0.00 0.00 0.00 3.23 4.20 -1.73 -3.27 115.11 117.54 1ozo h GLN 46 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1ozo h GLN 46 Cb 0.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1ozo h GLN 46 CO 0.00 0.00 -1.64 0.45 -0.67 0.00 0.00 178.83 176.98 1ozo n SER 47 N -3.09 1.51 0.00 1.46 2.88 -0.29 -5.03 113.62 111.05 1ozo n SER 47 Ca -0.02 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1ozo n SER 47 Cb 0.15 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1ozo n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ozo n GLY 48 N 2.49 0.86 1.09 0.46 0.00 -0.27 -3.64 105.19 106.18 1ozo n GLY 48 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1ozo n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ozo n LYS 49 N 0.00 0.00 0.00 1.61 3.00 -1.26 -4.64 118.16 116.87 1ozo n LYS 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ozo n LYS 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ozo n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ozo n ASP 50 N -1.82 0.00 0.00 3.14 2.03 -1.24 -1.55 116.55 117.11 1ozo n ASP 50 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ozo n ASP 50 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ozo n ASP 50 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ozo n LYS 51 N 0.00 0.00 -0.05 -0.67 0.00 -1.26 -4.96 118.16 111.22 1ozo n LYS 51 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.41 1ozo n LYS 51 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 35.03 35.14 1ozo n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ozo n ASP 52 N 0.00 2.82 -4.68 -5.58 8.00 -1.23 -4.57 116.55 111.32 1ozo n ASP 52 Ca 0.00 -1.86 -0.24 0.00 0.71 0.00 0.00 54.79 53.40 1ozo n ASP 52 Cb 0.00 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 40.96 1ozo n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ozo s ALA 53 N -1.58 3.34 0.00 2.24 0.00 -0.59 -2.78 121.76 122.39 1ozo s ALA 53 Ca 0.26 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1ozo s ALA 53 Cb 0.17 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1ozo s ALA 53 CO 0.26 0.03 0.00 0.28 0.00 0.00 0.00 175.76 176.32 1ozo n VAL 54 N -1.05 0.00 -0.34 0.00 0.31 -1.26 -4.46 118.33 111.53 1ozo n VAL 54 Ca -0.03 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.48 1ozo n VAL 54 Cb 0.62 0.00 0.40 0.00 -0.91 0.00 0.00 33.84 33.95 1ozo n VAL 54 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ozo h ASP 55 N 0.00 0.63 0.28 4.52 3.58 -1.81 -1.92 116.42 121.71 1ozo h ASP 55 Ca 0.00 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1ozo h ASP 55 Cb 0.00 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1ozo h ASP 55 CO 0.00 0.06 -0.64 0.29 -2.88 0.00 0.00 179.24 176.07 1ozo n LYS 56 N -4.92 0.15 -0.03 0.28 4.01 -1.12 0.12 118.16 116.65 1ozo n LYS 56 Ca 0.28 -0.11 0.09 0.00 -0.51 0.00 0.00 58.31 58.06 1ozo n LYS 56 Cb 0.78 -1.50 0.45 0.00 -0.51 0.00 0.00 35.03 34.25 1ozo n LYS 56 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ozo n LEU 57 N -1.33 0.59 0.00 -0.35 7.99 -0.79 -3.67 117.00 119.45 1ozo n LEU 57 Ca 0.06 -0.25 -0.00 0.00 -0.01 0.00 0.00 56.01 55.80 1ozo n LEU 57 Cb 0.34 -0.04 -0.00 0.00 -0.11 0.00 0.00 43.42 43.61 1ozo n LEU 57 CO 0.36 0.13 -0.02 -0.11 -1.51 0.00 0.00 177.39 176.24 1ozo n LEU 58 N -0.37 0.20 -0.27 2.23 0.00 -0.82 -4.78 117.00 113.19 1ozo n LEU 58 Ca 0.14 0.03 0.30 0.00 0.00 0.00 0.00 56.01 56.47 1ozo n LEU 58 Cb 0.15 -0.13 0.69 0.00 0.00 0.00 0.00 43.42 44.13 1ozo n LEU 58 CO 0.11 -0.53 1.28 0.11 0.00 0.00 0.00 177.39 178.35 1ozo h LYS 59 N -0.02 0.09 -0.48 1.96 1.79 -0.50 0.14 116.57 119.55 1ozo h LYS 59 Ca 0.00 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1ozo h LYS 59 Cb 0.02 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1ozo h LYS 59 CO 0.00 0.06 0.13 -0.44 -1.08 0.00 0.00 179.45 178.12 1ozo h ASP 60 N 0.09 0.71 0.07 0.86 5.19 -1.81 -3.37 116.42 118.16 1ozo h ASP 60 Ca 0.51 -0.22 -0.34 0.00 -0.62 0.00 0.00 57.03 56.37 1ozo h ASP 60 Cb 1.87 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 41.17 1ozo h ASP 60 CO -0.07 0.74 -1.90 0.00 -3.12 0.00 0.00 179.24 174.90 1ozo n LEU 61 N -4.51 2.43 -0.09 1.55 -0.00 0.24 -4.38 117.00 112.25 1ozo n LEU 61 Ca 0.01 0.23 0.08 0.00 -0.00 0.00 0.00 56.01 56.33 1ozo n LEU 61 Cb 0.20 -1.04 0.14 0.00 -0.00 0.00 0.00 43.42 42.72 1ozo n LEU 61 CO 0.39 0.70 0.25 -0.67 -0.00 0.00 0.00 177.39 178.05 1ozo n ASP 62 N -3.76 0.06 0.25 1.45 -0.08 0.25 -0.59 116.55 114.13 1ozo n ASP 62 Ca -0.35 0.33 0.17 0.00 -1.51 0.00 0.00 54.79 53.43 1ozo n ASP 62 Cb 0.94 -0.16 0.79 0.00 2.34 0.00 0.00 41.12 45.02 1ozo n ASP 62 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ozo h ALA 63 N 0.39 1.62 -0.00 -1.67 0.00 -1.76 -0.62 119.26 117.21 1ozo h ALA 63 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ozo h ALA 63 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ozo h ALA 63 CO -0.13 -0.45 -0.27 -1.71 0.00 0.00 0.00 179.25 176.69 1ozo n ASN 64 N -3.20 0.39 0.00 0.00 4.05 0.24 -4.86 115.26 111.88 1ozo n ASN 64 Ca 0.01 -0.14 0.00 0.00 0.45 0.00 0.00 54.58 54.90 1ozo n ASN 64 Cb 0.46 -0.04 0.00 0.00 1.23 0.00 0.00 39.78 41.44 1ozo n ASN 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ozo n GLY 65 N 1.45 -1.29 2.14 8.20 0.00 -0.34 -4.87 105.19 110.47 1ozo n GLY 65 Ca 0.08 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1ozo n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ozo n ASP 66 N -2.39 -2.46 0.00 1.61 2.03 -0.62 -5.04 116.55 109.69 1ozo n ASP 66 Ca 0.00 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.91 1ozo n ASP 66 Cb 0.00 2.43 0.00 0.00 -0.72 0.00 0.00 41.12 42.83 1ozo n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ozo n ALA 67 N -3.19 0.00 -1.67 -1.67 0.00 -1.25 -4.81 120.51 107.91 1ozo n ALA 67 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1ozo n ALA 67 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ozo n ALA 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ozo s GLN 68 N 0.00 1.93 -0.51 0.00 -0.21 -1.26 -4.67 119.66 114.94 1ozo s GLN 68 Ca 0.00 0.61 -0.28 0.00 0.02 0.00 0.00 55.36 55.71 1ozo s GLN 68 Cb 0.00 -4.75 0.01 0.00 1.00 0.00 0.00 33.01 29.27 1ozo s GLN 68 CO 0.00 -3.89 1.45 0.08 -2.12 0.00 0.00 175.29 170.81 1ozo s VAL 69 N 13.08 3.79 1.06 1.09 1.01 -0.31 -4.67 120.40 135.45 1ozo s VAL 69 Ca 0.89 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 63.47 1ozo s VAL 69 Cb -0.13 -4.31 0.22 0.00 0.00 0.00 0.00 36.38 32.16 1ozo s VAL 69 CO 0.12 -1.00 1.07 -0.62 0.00 0.00 0.00 175.10 174.67 1ozo s ASP 70 N 4.50 1.85 0.42 3.32 2.15 -1.26 -0.02 116.67 127.63 1ozo s ASP 70 Ca 0.57 1.73 0.08 0.00 0.43 0.00 0.00 52.55 55.36 1ozo s ASP 70 Cb -0.12 -2.37 0.89 0.00 -0.30 0.00 0.00 42.92 41.02 1ozo s ASP 70 CO 0.28 -3.70 2.05 2.19 -0.17 0.00 0.00 175.17 175.82 1ozo h PHE 71 N -2.28 0.42 0.36 -5.34 -5.15 -1.97 -0.84 116.94 102.16 1ozo h PHE 71 Ca -0.54 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.21 1ozo h PHE 71 Cb 1.31 -0.14 0.00 0.00 0.22 0.00 0.00 35.95 37.34 1ozo h PHE 71 CO 0.36 0.30 -0.17 0.66 -2.00 0.00 0.00 178.31 177.45 1ozo h SER 72 N 0.45 -0.41 -0.46 -0.68 4.64 -1.96 0.12 113.55 115.25 1ozo h SER 72 Ca 0.12 -0.12 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 1ozo h SER 72 Cb 0.01 0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 62.12 1ozo h SER 72 CO -0.02 -0.09 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.36 1ozo h GLU 73 N -0.75 -0.05 0.45 4.77 5.08 -1.83 -1.33 114.58 120.91 1ozo h GLU 73 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ozo h GLU 73 Cb 0.51 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ozo h GLU 73 CO 0.08 -0.03 -0.30 0.35 -1.00 0.00 0.00 179.01 178.11 1ozo h PHE 74 N -0.05 -0.81 -0.48 4.33 3.57 -1.11 -2.24 116.94 120.15 1ozo h PHE 74 Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1ozo h PHE 74 Cb 0.39 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1ozo h PHE 74 CO -0.43 -0.44 0.32 0.97 -2.23 0.00 0.00 178.31 176.50 1ozo h ILE 75 N -0.71 1.09 -0.04 1.41 6.09 -0.52 0.26 117.51 125.09 1ozo h ILE 75 Ca -0.06 -0.21 -0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1ozo h ILE 75 Cb 0.58 0.43 -0.00 0.00 0.47 0.00 0.00 36.82 38.30 1ozo h ILE 75 CO 0.04 0.11 0.02 0.58 -3.07 0.00 0.00 178.15 175.83 1ozo h VAL 76 N 0.61 1.08 0.00 2.19 2.07 -1.26 -2.40 116.25 118.53 1ozo h VAL 76 Ca 0.19 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ozo h VAL 76 Cb 0.01 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1ozo h VAL 76 CO -0.04 0.06 -0.23 -0.26 0.02 0.00 0.00 177.57 177.12 1ozo h PHE 77 N -0.03 0.00 -0.26 1.57 -1.00 -0.71 -2.88 116.94 113.62 1ozo h PHE 77 Ca 0.01 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.83 1ozo h PHE 77 Cb 0.09 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 1ozo h PHE 77 CO -0.05 0.00 0.05 0.28 -1.61 0.00 0.00 178.31 176.98 1ozo h VAL 78 N 0.00 0.87 0.00 -0.55 2.07 -0.48 0.28 116.25 118.44 1ozo h VAL 78 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ozo h VAL 78 Cb 0.83 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1ozo h VAL 78 CO 0.00 0.03 0.03 0.00 0.02 0.00 0.00 177.57 177.65 1ozo n ALA 79 N -2.33 0.97 0.02 1.67 0.00 -0.91 -0.89 120.51 119.03 1ozo n ALA 79 Ca -0.01 0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 1ozo n ALA 79 Cb 0.12 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 1ozo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozo h ALA 80 N 1.90 0.36 -0.92 0.00 0.00 -0.87 -3.41 119.26 116.32 1ozo h ALA 80 Ca 0.00 -1.33 0.13 0.00 0.00 0.00 0.00 54.91 53.71 1ozo h ALA 80 Cb 0.06 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1ozo h ALA 80 CO 0.00 1.24 0.54 0.82 0.00 0.00 0.00 179.25 181.85 1ozo h ILE 81 N 0.07 0.83 0.00 0.00 1.08 0.14 0.27 117.51 119.91 1ozo h ILE 81 Ca -0.40 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1ozo h ILE 81 Cb 2.05 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1ozo h ILE 81 CO 0.11 0.15 0.00 1.07 -0.69 0.00 0.00 178.15 178.79 1ozo n THR 82 N -4.74 1.48 -0.03 -0.27 5.66 -0.85 -0.96 114.28 114.57 1ozo n THR 82 Ca 0.18 0.37 -0.03 0.00 -3.05 0.00 0.00 64.05 61.52 1ozo n THR 82 Cb 0.39 -1.35 -0.05 0.00 -1.55 0.00 0.00 70.33 67.76 1ozo n THR 82 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ozo n SER 83 N -1.38 3.31 -0.04 1.09 3.41 0.64 -4.77 113.62 115.87 1ozo n SER 83 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.51 1ozo n SER 83 Cb 0.01 0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 64.50 1ozo n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ozo n ALA 84 N -2.24 1.42 -0.03 7.33 0.00 0.64 0.09 120.51 127.72 1ozo n ALA 84 Ca -0.11 -0.90 -0.11 0.00 0.00 0.00 0.00 53.44 52.32 1ozo n ALA 84 Cb 0.71 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 1ozo n ALA 84 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ozo h SER 85 N 0.01 0.18 0.19 0.00 0.02 -1.30 -3.36 113.55 109.28 1ozo h SER 85 Ca -0.38 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1ozo h SER 85 Cb 2.07 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.57 1ozo h SER 85 CO 0.06 0.16 -0.09 0.45 -1.14 0.00 0.00 176.83 176.27 1ozo h HIS 86 N 0.19 -0.23 0.00 3.45 3.86 -1.64 -3.44 115.15 117.34 1ozo h HIS 86 Ca 0.06 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1ozo h HIS 86 Cb 0.00 0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1ozo h HIS 86 CO -0.06 -0.15 0.00 0.36 0.86 0.00 0.00 177.93 178.94 1ozo n LYS 87 N -3.37 -0.99 -2.16 2.45 2.85 0.11 -3.78 118.16 113.27 1ozo n LYS 87 Ca -0.03 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1ozo n LYS 87 Cb 0.10 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 31.92 1ozo n LYS 87 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1ozo n TYR 88 N -0.17 -3.92 0.00 5.58 4.19 -1.26 -5.07 117.16 116.50 1ozo n TYR 88 Ca 0.00 2.35 0.00 0.00 3.31 0.00 0.00 57.90 63.56 1ozo n TYR 88 Cb 0.07 -3.16 0.00 0.00 0.49 0.00 0.00 39.34 36.74 1ozo n TYR 88 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 1ozo n PHE 89 N 1.89 0.00 0.09 2.98 3.01 -1.25 -4.89 117.46 119.29 1ozo n PHE 89 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 1ozo n PHE 89 Cb 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.34 1ozo n PHE 89 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1ozo h GLU 90 N 0.00 0.57 0.00 -1.08 9.09 -1.94 -3.46 114.58 117.76 1ozo h GLU 90 Ca 0.00 -0.80 0.00 0.00 0.05 0.00 0.00 59.36 58.61 1ozo h GLU 90 Cb 0.00 0.27 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1ozo h GLU 90 CO 0.00 1.36 0.00 0.36 0.05 0.00 0.00 179.01 180.78 1ozo n LYS 91 N -3.85 0.00 0.00 1.06 -0.00 -1.26 -4.99 118.16 109.13 1ozo n LYS 91 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1ozo n LYS 91 Cb 0.97 -0.03 0.00 0.00 -0.00 0.00 0.00 35.03 35.97 1ozo n LYS 91 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ozo n THR 92 N -0.63 0.00 -1.17 0.58 -2.24 -1.26 -4.08 114.28 105.48 1ozo n THR 92 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1ozo n THR 92 Cb 0.00 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 1ozo n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozo n GLY 93 N 0.00 0.84 2.70 3.38 0.00 -1.26 -1.98 105.19 108.87 1ozo n GLY 93 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 1ozo n GLY 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ozo n LEU 94 N -0.68 -0.65 0.00 0.99 -0.00 -1.26 -4.99 117.00 110.41 1ozo n LEU 94 Ca -0.06 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1ozo n LEU 94 Cb 0.20 -2.64 0.00 0.00 -0.00 0.00 0.00 43.42 40.98 1ozo n LEU 94 CO 0.09 -1.01 0.17 2.29 -0.00 0.00 0.00 177.39 178.93